CAS RN: 114601-85-3
CAS Name: (5E,9Z,11E)-9-acetyl-8-formylheptadeca-5,9,11-trienoic acid
OPENEYE Name: (5E,9Z,11E)-9-acetyl-8-formyl-heptadeca-5,9,11-trienoic acid
IUPAC Name: (5E,9Z,11E)-9-acetyl-8-formylheptadeca-5,9,11-trienoic acid
SYSTEMATIC NAME: (5E,9Z,11E)-9-ethanoyl-8-methanoyl-heptadeca-5,9,11-trienoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CCCCC/C=C/C=C(/C(C/C=C/CCCC(=O)O)C=O)\C(=O)C
Structure:
CAS RN: 114563-66-5
CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[[(2S)-1-[7-methyl-1,4-dioxo-5-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]octyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid
OPENEYE Name: (2S)-5-guanidino-2-[[(2S)-1-[7-methyl-4-oxo-5-[[(E)-3-phenylprop-2-enoyl]amino]octanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[7-methyl-4-oxo-5-[[(E)-3-phenylprop-2-enoyl]amino]octanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[7-methyl-4-oxidanylidene-5-[[(E)-3-phenylprop-2-enoyl]amino]octanoyl]pyrrolidin-2-yl]carbonylamino]pentanoic acid
MOLECULAR FORMULA: C29H42N6O6
MOLECULAR WEIGHT: 570.68038
SMILES: CC(C)CC(C(=O)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 114495-95-3
CAS Name: 7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid (4-hydroxyphenyl) ester
OPENEYE Name: (4-hydroxyphenyl) 7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoate
IUPAC Name: (4-hydroxyphenyl) 7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate
SYSTEMATIC NAME: (4-hydroxyphenyl) 7-[(1R,5R)-2-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoate
MOLECULAR FORMULA: C26H38O5
MOLECULAR WEIGHT: 430.57692
SMILES: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OC2=CC=C(C=C2)O)O
Structure:
CAS RN: 114416-55-6
CAS Name: (10Z)-14-pentyl-1-oxacyclotetradec-10-ene-2,13-dione
OPENEYE Name: (10Z)-14-pentyl-1-oxacyclotetradec-10-ene-2,13-dione
IUPAC Name: (10Z)-14-pentyl-1-oxacyclotetradec-10-ene-2,13-dione
SYSTEMATIC NAME: (10Z)-14-pentyl-1-oxacyclotetradec-10-ene-2,13-dione
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: CCCCCC1C(=O)C/C=C\CCCCCCCC(=O)O1
Structure:
CAS RN: 114416-54-5
CAS Name: (10Z)-12-(1-oxoheptyl)-1-oxacyclododec-10-en-2-one
OPENEYE Name: (10Z)-12-heptanoyl-1-oxacyclododec-10-en-2-one
IUPAC Name: (10Z)-12-heptanoyl-1-oxacyclododec-10-en-2-one
SYSTEMATIC NAME: (10Z)-12-heptanoyl-1-oxacyclododec-10-en-2-one
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: CCCCCCC(=O)C1/C=C\CCCCCCCC(=O)O1
Structure:
CAS RN: 114413-27-3
CAS Name: 5-[6-(acetyloxymethyl)-3-hydroxy-4-[[5-hydroxy-5-(1-hydroxyethyl)-4-methoxy-6-methyl-2-oxanyl]oxy]-5-[(E)-2-isothiocyanato-1-oxobut-2-enoxy]-2-oxanyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexenecarboxylic acid
OPENEYE Name: 5-[6-(acetoxymethyl)-3-hydroxy-4-[5-hydroxy-5-(1-hydroxyethyl)-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxy-tetrahydropyran-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
IUPAC Name: 5-[6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-5-(1-hydroxyethyl)-4-methoxy-6-methyloxan-2-yl]oxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid
SYSTEMATIC NAME: 5-[6-(acetyloxymethyl)-4-[5-(1-hydroxyethyl)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxy-3-oxidanyl-oxan-2-yl]-2-azanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C29H38N2O16S
MOLECULAR WEIGHT: 702.68082
SMILES: C/C=C(\C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)(C(C)O)O)OC)O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)/N=C=S
Structure:
CAS RN: 114318-33-1
CAS Name: (E)-2-diazonio-1-[(6E,11Z)-hexadeca-6,11-dienoxy]ethenolate
OPENEYE Name: (E)-2-diazonio-1-[(6E,11Z)-hexadeca-6,11-dienoxy]ethenolate
IUPAC Name: (E)-2-diazonio-1-[(6E,11Z)-hexadeca-6,11-dienoxy]ethenolate
SYSTEMATIC NAME: (E)-2-diazonio-1-[(6E,11Z)-hexadeca-6,11-dienoxy]ethenolate
MOLECULAR FORMULA: C18H30N2O2
MOLECULAR WEIGHT: 306.443
SMILES: CCCC/C=C\CCC/C=C/CCCCCO/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 114216-65-8
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3R,4R,5R)-3-hydroxy-5-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-[(2R,3R,4R)-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4-oxanyl]oxy]-2-oxolanyl]methyl ester
OPENEYE Name: [(2S,3R,4R,5S)-5-[(2S,3R,4R,5R)-2-[(1R,2R,3R)-2,3-dihydroxy-1-(hydroxymethyl)-4-oxo-butoxy]-3-hydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (E)-3-(4-hydroxy-3-methoxy-p
IUPAC Name: [(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4R,5R)-3-hydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R)-1,3,4-trihydroxy-5-oxopentan-2-yl]oxyoxan-4-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[(2S,3R,4R,5R)-3-oxidanyl-5-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(2R,3R,4R)-1,3,4-tris(oxidanyl)-5-oxidanylidene-pentan-2-yl]oxy-oxan-4-yl]oxy-oxolan-2-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-e
MOLECULAR FORMULA: C30H42O20
MOLECULAR WEIGHT: 722.64248
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@@H](CO[C@H]([C@@H]3O)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O
Structure:
CAS RN: 114153-91-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H63NO19
MOLECULAR WEIGHT: 982.03052
SMILES: CC1C(/C=C/OC2(C(=O)C3=C4C(=O)C=C(C(=O)C4=C(C(=C3O2)C)O)NC(=O)/C(=C/C=C/C(C(C(C(C(C1OC(=O)C)C)O)C)O)C(C)OC(=O)C(C)(C)CC(=O)O)/C)C)OC5CC6C(C(O5)C)OCO6
Structure:
CAS RN: 114144-28-4
CAS Name: (5S,6E,8Z,10E,12E)-5-hydroxy-13-[(2S,3S)-3-pentyl-2-oxiranyl]trideca-6,8,10,12-tetraenoic acid
OPENEYE Name: (5S,6E,8Z,10E,12E)-5-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-6,8,10,12-tetraenoic acid
IUPAC Name: (5S,6E,8Z,10E,12E)-5-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-6,8,10,12-tetraenoic acid
SYSTEMATIC NAME: (5S,6E,8Z,10E,12E)-5-oxidanyl-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-6,8,10,12-tetraenoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CCCCC[C@H]1[C@@H](O1)/C=C/C=C/C=C\C=C\[C@H](CCCC(=O)O)O
Structure:
CAS RN: 114118-91-1
CAS Name: 4-[(2E,4E,6R)-6-[(1R,2S,3R,5R)-2,5-dimethyl-3-spiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]yl]-4-methyl-1-oxohepta-2,4-dienyl]-5-hydroxy-1,2-dihydropyrrol-3-one
OPENEYE Name: 4-[(2E,4E,6R)-6-[(1R,2S,3R,5R)-2,5-dimethylspiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]-3-yl]-4-methyl-hepta-2,4-dienoyl]-5-hydroxy-1,2-dihydropyrrol-3-one
IUPAC Name: 4-[(2E,4E,6R)-6-[(1R,2S,3R,5R)-2,5-dimethylspiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]-3-yl]-4-methylhepta-2,4-dienoyl]-5-hydroxy-1,2-dihydropyrrol-3-one
SYSTEMATIC NAME: 4-[(2E,4E,6R)-6-[(1R,2S,3R,5R)-2,5-dimethylspiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]-3-yl]-4-methyl-hepta-2,4-dienoyl]-5-oxidanyl-1,2-dihydropyrrol-3-one
MOLECULAR FORMULA: C22H27NO6
MOLECULAR WEIGHT: 401.45288
SMILES: C[C@H]1[C@H]2C=CC3(CO3)[C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=O)C4=C(NCC4=O)O)C
Structure:
CAS RN: 114115-52-5
CAS Name: (5Z,7E,9E,11R,12S)-11-[(2-acetamido-2-carboxyethyl)thio]-12-hydroxyhexadeca-5,7,9-trienedioic acid
OPENEYE Name: (5Z,7E,9E,11R,12S)-11-(2-acetamido-2-carboxy-ethyl)sulfanyl-12-hydroxy-hexadeca-5,7,9-trienedioic acid
IUPAC Name: (5Z,7E,9E,11R,12S)-11-(2-acetamido-2-carboxyethyl)sulfanyl-12-hydroxyhexadeca-5,7,9-trienedioic acid
SYSTEMATIC NAME: (5Z,7E,9E,11R,12S)-11-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-12-oxidanyl-hexadeca-5,7,9-trienedioic acid
MOLECULAR FORMULA: C21H31NO8S
MOLECULAR WEIGHT: 457.53774
SMILES: CC(=O)NC(CS[C@H](/C=C/C=C/C=C\CCCC(=O)O)[C@H](CCCC(=O)O)O)C(=O)O
Structure:
CAS RN: 114115-51-4
CAS Name: (4Z,7Z,9E,11E,13R,14S)-13-[(2-acetamido-2-carboxyethyl)thio]-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid
OPENEYE Name: (4Z,7Z,9E,11E,13R,14S)-13-(2-acetamido-2-carboxy-ethyl)sulfanyl-14-hydroxy-octadeca-4,7,9,11-tetraenedioic acid
IUPAC Name: (4Z,7Z,9E,11E,13R,14S)-13-(2-acetamido-2-carboxyethyl)sulfanyl-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid
SYSTEMATIC NAME: (4Z,7Z,9E,11E,13R,14S)-13-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-14-oxidanyl-octadeca-4,7,9,11-tetraenedioic acid
MOLECULAR FORMULA: C23H33NO8S
MOLECULAR WEIGHT: 483.57502
SMILES: CC(=O)NC(CS[C@H](/C=C/C=C/C=C\C/C=C\CCC(=O)O)[C@H](CCCC(=O)O)O)C(=O)O
Structure:
CAS RN: 113849-17-5
CAS Name: (5E,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid methyl ester
OPENEYE Name: methyl (5E,8Z)-9-(4-chlorophenyl)-7,7-dimethyl-nona-5,8-dienoate
IUPAC Name: methyl (5E,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoate
SYSTEMATIC NAME: methyl (5E,8Z)-9-(4-chlorophenyl)-7,7-dimethyl-nona-5,8-dienoate
MOLECULAR FORMULA: C18H23ClO2
MOLECULAR WEIGHT: 306.82702
SMILES: CC(C)(/C=C/CCCC(=O)OC)/C=C\C1=CC=C(C=C1)Cl
Structure:
CAS RN: 113849-15-3
CAS Name: (5E,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid
OPENEYE Name: (5E,8Z)-9-(4-chlorophenyl)-7,7-dimethyl-nona-5,8-dienoic acid
IUPAC Name: (5E,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid
SYSTEMATIC NAME: (5E,8Z)-9-(4-chlorophenyl)-7,7-dimethyl-nona-5,8-dienoic acid
MOLECULAR FORMULA: C17H21ClO2
MOLECULAR WEIGHT: 292.80044
SMILES: CC(C)(/C=C/CCCC(=O)O)/C=C\C1=CC=C(C=C1)Cl
Structure:
CAS RN: 113846-97-2
CAS Name: (2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[[(Z,2S)-1,5-diamino-1-oxopent-3-en-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-mercapto-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-3-me
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(1S)-3-amino-1-[[(1R)-2-[(2S)-2-[[(Z,1S)-4-amino-1-carbamoyl-but-2-enyl]carbamoyl]pyrrolidin-1-yl]
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(Z,2S)-1,5-diamino-1-oxopent-3-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1
SYSTEMATIC NAME: (2S)-N-[(2S)-4-azanyl-1-[[(2R)-1-[(2S)-2-[[(Z,2S)-1,5-bis(azanyl)-1-oxidanylidene-pent-3-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[2-(2-azanylethanoylam
MOLECULAR FORMULA: C47H66N14O12S2
MOLECULAR WEIGHT: 1083.24354
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](/C=C\CN)C(=O)N
Structure:
CAS RN: 113779-23-0
CAS Name: (Z)-4-amino-2-fluoro-2-butenoic acid
OPENEYE Name: (Z)-4-amino-2-fluoro-but-2-enoic acid
IUPAC Name: (Z)-4-amino-2-fluorobut-2-enoic acid
SYSTEMATIC NAME: (Z)-4-azanyl-2-fluoranyl-but-2-enoic acid
MOLECULAR FORMULA: C4H6FNO2
MOLECULAR WEIGHT: 119.094343
SMILES: C(/C=C(/C(=O)O)\F)N
Structure:
CAS RN: 113774-72-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: CC1(CCCCC1)[C@H](/C=C/[C@@H]2[C@@H]([C@H]3[C@@H]4[C@H]([C@@H]2O3)O4)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 113728-54-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H45N4O3+
MOLECULAR WEIGHT: 629.8103
SMILES: C/C=C/1\C[N+]2(C3CC1C(C2CC4=C3NC5=C4C6=C(C=C5)OC7C(C6C)C8CC9C1=C(CC(C8C(=C)O7)N9)C2=CC=CC=C2N1)CO)C
Structure:
CAS RN: 113704-34-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30O6
MOLECULAR WEIGHT: 414.4914
SMILES: C1=CC(=CC=C1CC[C@H](/C=C/[C@@H]2[C@@H]([C@H]3[C@@H]4[C@H]([C@@H]2O3)O4)C/C=C\CCCC(=O)O)O)O
Structure:
CAS RN: 113693-19-9
CAS Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-oxanyl]methylamino]-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-
OPENEYE Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylamino]tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy
IUPAC Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]oxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23
SYSTEMATIC NAME: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-18,20,21-trimethyl-3-[(2R,3S,4S,5S,6R)-6-methyl-3,5-bis(oxidanyl)-4-[[(2R,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]oxan-2-yl]oxy-19,25,27,30,31,33,35,37-octa
MOLECULAR FORMULA: C53H83NO22
MOLECULAR WEIGHT: 1086.21962
SMILES: C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)NC[C@@]4([C@H]([C@@H]([C@@H](CO4)O)O)O)O)O
Structure:
CAS RN: 119829-29-7
CAS Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-oxanyl]methylamino]-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-
OPENEYE Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylamino]tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy
IUPAC Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]oxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23
SYSTEMATIC NAME: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-18,20,21-trimethyl-3-[(2R,3S,4S,5S,6R)-6-methyl-3,5-bis(oxidanyl)-4-[[(2R,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]oxan-2-yl]oxy-19,25,27,30,31,33,35,37-octa
MOLECULAR FORMULA: C53H83NO22
MOLECULAR WEIGHT: 1086.21962
SMILES: C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)NC[C@@]4([C@H]([C@@H]([C@@H](CO4)O)O)O)O)O
Structure:
CAS RN: 113603-74-0
CAS Name: 5-[6-(acetyloxymethyl)-4-[[4,5-dihydroxy-6-methyl-5-[1-(2-methyl-1-oxobutoxy)ethyl]-2-oxanyl]oxy]-3-hydroxy-5-[(E)-2-isothiocyanato-1-oxobut-2-enoxy]-2-oxanyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexenecarboxylic acid
OPENEYE Name: 5-[6-(acetoxymethyl)-4-[4,5-dihydroxy-6-methyl-5-[1-(2-methylbutanoyloxy)ethyl]tetrahydropyran-2-yl]oxy-3-hydroxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxy-tetrahydropyran-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
IUPAC Name: 5-[6-(acetyloxymethyl)-4-[4,5-dihydroxy-6-methyl-5-[1-(2-methylbutanoyloxy)ethyl]oxan-2-yl]oxy-3-hydroxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid
SYSTEMATIC NAME: 5-[6-(acetyloxymethyl)-5-[(E)-2-isothiocyanatobut-2-enoyl]oxy-4-[6-methyl-5-[1-(2-methylbutanoyloxy)ethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]-2-azanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C33H44N2O17S
MOLECULAR WEIGHT: 772.77066
SMILES: CCC(C)C(=O)OC(C)C1(C(OC(CC1O)OC2C(C(OC(C2OC(=O)/C(=C\C)/N=C=S)COC(=O)C)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)O)C)O
Structure:
CAS RN: 113603-73-9
CAS Name: 5-[6-(acetyloxymethyl)-3-hydroxy-4-[[5-hydroxy-4-methoxy-6-methyl-5-[1-(1-oxopropoxy)ethyl]-2-oxanyl]oxy]-5-[(E)-2-isothiocyanato-1-oxobut-2-enoxy]-2-oxanyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexenecarboxylic acid
OPENEYE Name: 5-[6-(acetoxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-(1-propanoyloxyethyl)tetrahydropyran-2-yl]oxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxy-tetrahydropyran-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
IUPAC Name: 5-[6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-(1-propanoyloxyethyl)oxan-2-yl]oxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid
SYSTEMATIC NAME: 5-[6-(acetyloxymethyl)-5-[(E)-2-isothiocyanatobut-2-enoyl]oxy-4-[4-methoxy-6-methyl-5-oxidanyl-5-(1-propanoyloxyethyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]-2-azanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C32H42N2O17S
MOLECULAR WEIGHT: 758.74408
SMILES: CCC(=O)OC(C)C1(C(OC(CC1OC)OC2C(C(OC(C2OC(=O)/C(=C\C)/N=C=S)COC(=O)C)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)O)C)O
Structure:
CAS RN: 113592-08-8
CAS Name: 5-[6-(acetyloxymethyl)-4-[[4,5-dihydroxy-6-methyl-5-[1-(2-methyl-1-oxopropoxy)ethyl]-2-oxanyl]oxy]-3-hydroxy-5-[(E)-2-isothiocyanato-1-oxobut-2-enoxy]-2-oxanyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexenecarboxylic acid
OPENEYE Name: 5-[6-(acetoxymethyl)-4-[4,5-dihydroxy-6-methyl-5-[1-(2-methylpropanoyloxy)ethyl]tetrahydropyran-2-yl]oxy-3-hydroxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxy-tetrahydropyran-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
IUPAC Name: 5-[6-(acetyloxymethyl)-4-[4,5-dihydroxy-6-methyl-5-[1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxy-3-hydroxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid
SYSTEMATIC NAME: 5-[6-(acetyloxymethyl)-5-[(E)-2-isothiocyanatobut-2-enoyl]oxy-4-[6-methyl-5-[1-(2-methylpropanoyloxy)ethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]-2-azanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C32H42N2O17S
MOLECULAR WEIGHT: 758.74408
SMILES: C/C=C(\C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)(C(C)OC(=O)C(C)C)O)O)O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)/N=C=S
Structure:
CAS RN: 112969-65-0
CAS Name: (E)-4-(4-bromophenyl)-N,N-dimethyl-4-(3-pyridinyl)-3-buten-1-amine; oxalic acid
OPENEYE Name: (E)-4-(4-bromophenyl)-N,N-dimethyl-4-(3-pyridyl)but-3-en-1-amine; oxalic acid
IUPAC Name: (E)-4-(4-bromophenyl)-N,N-dimethyl-4-pyridin-3-ylbut-3-en-1-amine; oxalic acid
SYSTEMATIC NAME: (E)-4-(4-bromophenyl)-N,N-dimethyl-4-pyridin-3-yl-but-3-en-1-amine; ethanedioic acid
MOLECULAR FORMULA: C19H21BrN2O4
MOLECULAR WEIGHT: 421.28504
SMILES: CN(C)CC/C=C(\C1=CC=C(C=C1)Br)/C2=CN=CC=C2.C(=O)(C(=O)O)O
Structure:
CAS RN: 112927-19-2
CAS Name: (1S,4R)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [(2E)-2-bromo-1-cycloundec-2-enyl] ester
OPENEYE Name: [(2E)-2-bromocycloundec-2-en-1-yl] (1S,4R)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate
IUPAC Name: [(2E)-2-bromocycloundec-2-en-1-yl] (1S,4R)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate
SYSTEMATIC NAME: [(2E)-2-bromanylcycloundec-2-en-1-yl] (1S,4R)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate
MOLECULAR FORMULA: C21H31BrO4
MOLECULAR WEIGHT: 427.37244
SMILES: C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)OC/3CCCCCCCC/C=C3/Br
Structure:
CAS RN: 112682-32-3
CAS Name: 4-[[[(Z,4R,5S)-8-carboxy-1-(4-heptylphenyl)-5-hydroxyoct-2-en-4-yl]thio]methyl]-3-methoxybenzoic acid
OPENEYE Name: 4-[[(1R,2S)-5-carboxy-1-[(Z)-3-(4-heptylphenyl)prop-1-enyl]-2-hydroxy-pentyl]sulfanylmethyl]-3-methoxy-benzoic acid
IUPAC Name: 4-[[(Z,4R,5S)-8-carboxy-1-(4-heptylphenyl)-5-hydroxyoct-2-en-4-yl]sulfanylmethyl]-3-methoxybenzoic acid
SYSTEMATIC NAME: 4-[[(Z,4R,5S)-1-(4-heptylphenyl)-5,9-bis(oxidanyl)-9-oxidanylidene-non-2-en-4-yl]sulfanylmethyl]-3-methoxy-benzoic acid
MOLECULAR FORMULA: C31H42O6S
MOLECULAR WEIGHT: 542.72658
SMILES: CCCCCCCC1=CC=C(C=C1)C/C=C\[C@H]([C@H](CCCC(=O)O)O)SCC2=C(C=C(C=C2)C(=O)O)OC
Structure:
CAS RN: 112614-14-9
CAS Name: (E)-N-[2-[2-[[(E)-1-oxohex-2-enyl]amino]ethyldisulfanyl]ethyl]-2-hexenamide
OPENEYE Name: (E)-N-[2-[2-[[(E)-hex-2-enoyl]amino]ethyldisulfanyl]ethyl]hex-2-enamide
IUPAC Name: (E)-N-[2-[2-[[(E)-hex-2-enoyl]amino]ethyldisulfanyl]ethyl]hex-2-enamide
SYSTEMATIC NAME: (E)-N-[2-[2-[[(E)-hex-2-enoyl]amino]ethyldisulfanyl]ethyl]hex-2-enamide
MOLECULAR FORMULA: C16H28N2O2S2
MOLECULAR WEIGHT: 344.53572
SMILES: CCC/C=C/C(=O)NCCSSCCNC(=O)/C=C/CCC
Structure:
CAS RN: 112609-09-3
CAS Name: benzoic acid [(1S,3S,4R,4aR,7R,8R,8aS)-3,7,8-trihydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] ester
OPENEYE Name: [(1S,3S,4R,4aR,7R,8R,8aS)-3,7,8-trihydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)vinyl]decalin-1-yl] benzoate
IUPAC Name: [(1S,3S,4R,4aR,7R,8R,8aS)-3,7,8-trihydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate
SYSTEMATIC NAME: [(1S,3S,4R,4aR,7R,8R,8aS)-3,4,8,8a-tetramethyl-3,7,8-tris(oxidanyl)-4-[(E)-2-(5-oxidanylidene-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate
MOLECULAR FORMULA: C27H34O7
MOLECULAR WEIGHT: 470.55466
SMILES: C[C@@]1(C[C@@H]([C@@]2([C@@H]([C@@]1(C)/C=C/C3=CC(=O)OC3)CC[C@H]([C@]2(C)O)O)C)OC(=O)C4=CC=CC=C4)O
Structure:
CAS RN: 112505-10-9
CAS Name: (Z)-4-fluoro-2-phosphonooxy-2-butenoic acid
OPENEYE Name: (Z)-4-fluoro-2-phosphonooxy-but-2-enoic acid
IUPAC Name: (Z)-4-fluoro-2-phosphonooxybut-2-enoic acid
SYSTEMATIC NAME: (Z)-4-fluoranyl-2-phosphonooxy-but-2-enoic acid
MOLECULAR FORMULA: C4H6FO6P
MOLECULAR WEIGHT: 200.059004
SMILES: C(/C=C(/C(=O)O)\OP(=O)(O)O)F
Structure:
CAS RN: 112088-55-8
CAS Name: (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
OPENEYE Name: (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
IUPAC Name: (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
SYSTEMATIC NAME: (4E,7Z,9Z)-11-oxidanylhexadeca-4,7,9-trienoic acid
MOLECULAR FORMULA: C16H26O3
MOLECULAR WEIGHT: 266.37584
SMILES: CCCCCC(/C=C\C=C/C/C=C/CCC(=O)O)O
Structure:
CAS RN: 111865-28-2
CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-4-(1-pyrrolidinyl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-thiol
OPENEYE Name: fumaric acid; 2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-thiol
IUPAC Name: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-thiol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-thiol
MOLECULAR FORMULA: C24H33N5O9S
MOLECULAR WEIGHT: 567.61192
SMILES: CN1CCN(CC1)C2=NC3=C(OC(CC3)S)C(=N2)N4CCCC4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 111843-10-8
CAS Name: 4,5-dimethoxy-2-prop-2-enyl-4-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]-1-cyclohexa-2,5-dienone
OPENEYE Name: 2-allyl-4,5-dimethoxy-4-[(E)-1-methyl-2-(3,4,5-trimethoxyphenyl)vinyl]cyclohexa-2,5-dien-1-one
IUPAC Name: 4,5-dimethoxy-2-prop-2-enyl-4-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4,5-dimethoxy-2-prop-2-enyl-4-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C23H28O6
MOLECULAR WEIGHT: 400.46482
SMILES: C/C(=C\C1=CC(=C(C(=C1)OC)OC)OC)/C2(C=C(C(=O)C=C2OC)CC=C)OC
Structure:
CAS RN: 111219-92-2
CAS Name: (5E,8E,11E,14E)-eicosa-5,8,11,14,19-pentaenoic acid
OPENEYE Name: (5E,8E,11E,14E)-icosa-5,8,11,14,19-pentaenoic acid
IUPAC Name: (5E,8E,11E,14E)-icosa-5,8,11,14,19-pentaenoic acid
SYSTEMATIC NAME: (5E,8E,11E,14E)-icosa-5,8,11,14,19-pentaenoic acid
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C=CCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O
Structure:
CAS RN: 111216-62-7
CAS Name: 3,4a-dichloro-6,8-dihydroxy-10a-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2,2-dimethyl-3,4-dihydrobenzo[g][1]benzopyran-5,10-dione
OPENEYE Name: 3,4a-dichloro-6,8-dihydroxy-10a-[(2E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
IUPAC Name: 3,4a-dichloro-6,8-dihydroxy-10a-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
SYSTEMATIC NAME: 3,4a-bis(chloranyl)-10a-[(2E)-3,7-dimethyl-6-oxidanyl-octa-2,7-dienyl]-2,2-dimethyl-6,8-bis(oxidanyl)-3,4-dihydrobenzo[g]chromene-5,10-dione
MOLECULAR FORMULA: C25H30Cl2O6
MOLECULAR WEIGHT: 497.4081
SMILES: CC(=C)C(CC/C(=C/CC12C(=O)C3=CC(=CC(=C3C(=O)C1(CC(C(O2)(C)C)Cl)Cl)O)O)/C)O
Structure:
CAS RN: 111037-11-7
CAS Name: 4-[(1R,2R)-2-[(1E,3E,5Z,7E,9S)-9-hydroxytetradeca-1,3,5,7-tetraenyl]cyclopropyl]butanoic acid
OPENEYE Name: 4-[(1R,2R)-2-[(1E,3E,5Z,7E,9S)-9-hydroxytetradeca-1,3,5,7-tetraenyl]cyclopropyl]butanoic acid
IUPAC Name: 4-[(1R,2R)-2-[(1E,3E,5Z,7E,9S)-9-hydroxytetradeca-1,3,5,7-tetraenyl]cyclopropyl]butanoic acid
SYSTEMATIC NAME: 4-[(1R,2R)-2-[(1E,3E,5Z,7E,9S)-9-oxidanyltetradeca-1,3,5,7-tetraenyl]cyclopropyl]butanoic acid
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@@H]1C[C@H]1CCCC(=O)O)O
Structure:
CAS RN: 110536-31-7
CAS Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-3-fluoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
OPENEYE Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1S)-2-fluoro-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
IUPAC Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-3-fluoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-3-fluoranyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C27H43FO
MOLECULAR WEIGHT: 402.628123
SMILES: C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C)C(CCC(C)C)F
Structure:
CAS RN: 110465-94-6
CAS Name: N,N-diethyl-2-[4-[(Z)-1-(4-fluorophenyl)-2-phenylethenyl]phenoxy]ethanamine
OPENEYE Name: N,N-diethyl-2-[4-[(Z)-1-(4-fluorophenyl)-2-phenyl-vinyl]phenoxy]ethanamine
IUPAC Name: N,N-diethyl-2-[4-[(Z)-1-(4-fluorophenyl)-2-phenylethenyl]phenoxy]ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-[4-[(Z)-1-(4-fluorophenyl)-2-phenyl-ethenyl]phenoxy]ethanamine
MOLECULAR FORMULA: C26H28FNO
MOLECULAR WEIGHT: 389.505023
SMILES: CCN(CC)CCOC1=CC=C(C=C1)/C(=C/C2=CC=CC=C2)/C3=CC=C(C=C3)F
Structure:
CAS RN: 109522-29-4
CAS Name: (5E,8E,10Z,14Z)-5-fluoro-12-hydroxyeicosa-5,8,10,14-tetraenoic acid
OPENEYE Name: (5E,8E,10Z,14Z)-5-fluoro-12-hydroxy-icosa-5,8,10,14-tetraenoic acid
IUPAC Name: (5E,8E,10Z,14Z)-5-fluoro-12-hydroxyicosa-5,8,10,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,10Z,14Z)-5-fluoranyl-12-oxidanyl-icosa-5,8,10,14-tetraenoic acid
MOLECULAR FORMULA: C20H31FO3
MOLECULAR WEIGHT: 338.456743
SMILES: CCCCC/C=C\CC(/C=C\C=C\C/C=C(\CCCC(=O)O)/F)O
Structure:
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