CAS RN: 155660-91-6
CAS Name: 3-hydroxy-N-[3-[4-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]propyl]-4-[[2-[6-[(E)-2-hydroxypent-3-enyl]-4-methyl-2-oxanyl]-1-oxoethyl]amino]-2-methylbutanamide
OPENEYE Name: 3-hydroxy-N-[3-[4-[(E)-6-hydroxy-3,5-dimethyl-hept-4-enyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]propyl]-4-[[2-[6-[(E)-2-hydroxypent-3-enyl]-4-methyl-tetrahydropyran-2-yl]acetyl]amino]-2-methyl-butanamide
IUPAC Name: 3-hydroxy-N-[3-[4-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]propyl]-4-[[2-[6-[(E)-2-hydroxypent-3-enyl]-4-methyloxan-2-yl]acetyl]amino]-2-methylbutanamide
SYSTEMATIC NAME: N-[3-[4-[(E)-3,5-dimethyl-6-oxidanyl-hept-4-enyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]propyl]-2-methyl-4-[2-[4-methyl-6-[(E)-2-oxidanylpent-3-enyl]oxan-2-yl]ethanoylamino]-3-oxidanyl-butanamide
MOLECULAR FORMULA: C40H70N2O8
MOLECULAR WEIGHT: 706.9924
SMILES: C/C=C/C(CC1CC(CC(O1)CC(=O)NCC(C(C)C(=O)NCCCC2C(CCC3(O2)CCCC(O3)CCC(C)/C=C(\C)/C(C)O)C)O)C)O
Structure:
CAS RN: 152520-94-0
CAS Name: (2S,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
MOLECULAR FORMULA: C21H36O10
MOLECULAR WEIGHT: 448.50454
SMILES: CC(=CCC/C(=C/CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O)O)O)O)/C)C
Structure:
CAS RN: 152068-09-2
CAS Name: trimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-quinolin-1-iumyl]propyl]ammonium diiodide
OPENEYE Name: trimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonium diiodide
IUPAC Name: trimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium diiodide
SYSTEMATIC NAME: trimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium diiodide
MOLECULAR FORMULA: C24H29I2N3O
MOLECULAR WEIGHT: 629.3155
SMILES: CN\1C2=CC=CC=C2O/C1=C\C3=CC=[N+](C4=CC=CC=C34)CCC[N+](C)(C)C.[I-].[I-]
Structure:
CAS RN: 151910-72-4
CAS Name: (2E,4E,6E,8E)-13-hydroxyeicosa-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-13-hydroxyicosa-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-13-hydroxyicosa-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-13-oxidanylicosa-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCCCCC(CCC/C=C/C=C/C=C/C=C/C(=O)O)O
Structure:
CAS RN: 150863-83-5
CAS Name: (E)-3-(4-hydroxy-1-naphthalenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-hydroxy-1-naphthyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-hydroxynaphthalen-1-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-oxidanylnaphthalen-1-yl)prop-2-enoic acid
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1=CC=C2C(=C1)C(=CC=C2O)/C=C/C(=O)O
Structure:
CAS RN: 150346-23-9
CAS Name: N-[(E)-11-[(12Z,14Z)-3,9-dihydroxy-11,17-dimethoxy-4,4-dimethyl-7-oxo-6,20-dioxa-21-azabicyclo[16.2.1]heneicosa-1(21),12,14,18-tetraen-5-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-enyl]-N-methylformamide
OPENEYE Name: N-[(E)-11-[(12Z,14Z)-3,9-dihydroxy-11,17-dimethoxy-4,4-dimethyl-7-oxo-6,20-dioxa-21-azabicyclo[16.2.1]henicosa-1(21),12,14,18-tetraen-5-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxo-undec-1-enyl]-N-methyl-formamide
IUPAC Name: N-[(E)-11-[(12Z,14Z)-3,9-dihydroxy-11,17-dimethoxy-4,4-dimethyl-7-oxo-6,20-dioxa-21-azabicyclo[16.2.1]henicosa-1(21),12,14,18-tetraen-5-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-enyl]-N-methylformamide
SYSTEMATIC NAME: N-[(E)-11-[(12Z,14Z)-11,17-dimethoxy-4,4-dimethyl-3,9-bis(oxidanyl)-7-oxidanylidene-6,20-dioxa-21-azabicyclo[16.2.1]henicosa-1(21),12,14,18-tetraen-5-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxidanylidene-undec-1-enyl]-N-methyl-methanamide
MOLECULAR FORMULA: C39H62N2O11
MOLECULAR WEIGHT: 734.91638
SMILES: CC(CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)C(CC1C(C(CC2=NC(=CO2)C(C/C=C\C=C/C(CC(CC(=O)O1)O)OC)OC)O)(C)C)OC
Structure:
CAS RN: 78662-35-8
CAS Name: (Z)-2-butenedioic acid; 2-(2,2-dicyclohexylethyl)-1-ethylpiperidine
OPENEYE Name: 2-(2,2-dicyclohexylethyl)-1-ethyl-piperidine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 2-(2,2-dicyclohexylethyl)-1-ethylpiperidine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-(2,2-dicyclohexylethyl)-1-ethyl-piperidine
MOLECULAR FORMULA: C25H43NO4
MOLECULAR WEIGHT: 421.61322
SMILES: CCN1CCCCC1CC(C2CCCCC2)C3CCCCC3.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 78542-68-4
CAS Name: (5E)-5-[(3aS,4S,5R,6aS)-5-hydroxy-4-[(3S)-3-hydroxynon-1-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
OPENEYE Name: (5E)-5-[(3aS,4S,5R,6aS)-5-hydroxy-4-[(3S)-3-hydroxynon-1-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
IUPAC Name: (5E)-5-[(3aS,4S,5R,6aS)-5-hydroxy-4-[(3S)-3-hydroxynon-1-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
SYSTEMATIC NAME: (5E)-5-[(3aS,4S,5R,6aS)-5-oxidanyl-4-[(3S)-3-oxidanylnon-1-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
MOLECULAR FORMULA: C22H34O4
MOLECULAR WEIGHT: 362.50296
SMILES: CCCCCC[C@@H](C#C[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O
Structure:
CAS RN: 148179-94-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C63H95ClO21
MOLECULAR WEIGHT: 1223.8688
SMILES: CC1C2CCCC=CC3CC(CC4(C3C)CC(CC(O4)CC(=O)C(C(C(C(=C)CC5CC(CC6(O5)CC(CC(O6)CC(=O)OC7C(C(OC(O7)C(C(O2)(CC1O)O)O)CC(=C)CC(/C=C/C(=C)Cl)O)O)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O
Structure:
CAS RN: 147666-82-8
CAS Name: (3Z)-3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-1-isobenzofuranone
OPENEYE Name: (3Z)-3-[(3,4-dihydroxyphenyl)methylene]-7-hydroxy-isobenzofuran-1-one
IUPAC Name: (3Z)-3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-2-benzofuran-1-one
SYSTEMATIC NAME: (3Z)-3-[[3,4-bis(oxidanyl)phenyl]methylidene]-7-oxidanyl-2-benzofuran-1-one
MOLECULAR FORMULA: C15H10O5
MOLECULAR WEIGHT: 270.2369
SMILES: C1=CC\2=C(C(=C1)O)C(=O)O/C2=C\C3=CC(=C(C=C3)O)O
Structure:
CAS RN: 147332-48-7
CAS Name: (Z)-6-[(2S,4S,5R)-2-[2-(4-methyl-2-nitrophenoxy)propan-2-yl]-4-(3-pyridinyl)-1,3-dioxan-5-yl]-4-hexenoic acid
OPENEYE Name: (Z)-6-[(2S,4S,5R)-2-[1-methyl-1-(4-methyl-2-nitro-phenoxy)ethyl]-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid
IUPAC Name: (Z)-6-[(2S,4S,5R)-2-[2-(4-methyl-2-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
SYSTEMATIC NAME: (Z)-6-[(2S,4S,5R)-2-[2-(4-methyl-2-nitro-phenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
MOLECULAR FORMULA: C25H30N2O7
MOLECULAR WEIGHT: 470.5149
SMILES: CC1=CC(=C(C=C1)OC(C)(C)[C@H]2OC[C@H]([C@H](O2)C3=CN=CC=C3)C/C=C\CCC(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 147025-54-5
CAS Name: (E)-2-butenedioic acid; 3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane
OPENEYE Name: fumaric acid; 3-prop-2-ynoxyquinuclidine
IUPAC Name: (E)-but-2-enedioic acid; 3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C14H19NO5
MOLECULAR WEIGHT: 281.30436
SMILES: C#CCOC1CN2CCC1CC2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 78000-90-5
CAS Name: (6Z,9Z,12Z)-15-(1-iodohexyl)-1-oxacyclopentadeca-6,9,12-trien-2-one
OPENEYE Name: (6Z,9Z,12Z)-15-(1-iodohexyl)-1-oxacyclopentadeca-6,9,12-trien-2-one
IUPAC Name: (6Z,9Z,12Z)-15-(1-iodohexyl)-1-oxacyclopentadeca-6,9,12-trien-2-one
SYSTEMATIC NAME: (6Z,9Z,12Z)-15-(1-iodanylhexyl)-1-oxacyclopentadeca-6,9,12-trien-2-one
MOLECULAR FORMULA: C20H31IO2
MOLECULAR WEIGHT: 430.36341
SMILES: CCCCCC(C1C/C=C\C/C=C\C/C=C\CCCC(=O)O1)I
Structure:
CAS RN: 78000-89-2
CAS Name: (6Z,9Z,12Z)-15-iodo-16-pentyl-1-oxacyclohexadeca-6,9,12-trien-2-one
OPENEYE Name: (6Z,9Z,12Z)-15-iodo-16-pentyl-1-oxacyclohexadeca-6,9,12-trien-2-one
IUPAC Name: (6Z,9Z,12Z)-15-iodo-16-pentyl-1-oxacyclohexadeca-6,9,12-trien-2-one
SYSTEMATIC NAME: (6Z,9Z,12Z)-15-iodanyl-16-pentyl-1-oxacyclohexadeca-6,9,12-trien-2-one
MOLECULAR FORMULA: C20H31IO2
MOLECULAR WEIGHT: 430.36341
SMILES: CCCCCC1C(C/C=C\C/C=C\C/C=C\CCCC(=O)O1)I
Structure:
CAS RN: 145930-75-2
CAS Name: (10E,15E)-eicosa-10,15-dienoic acid
OPENEYE Name: (10E,15E)-icosa-10,15-dienoic acid
IUPAC Name: (10E,15E)-icosa-10,15-dienoic acid
SYSTEMATIC NAME: (10E,15E)-icosa-10,15-dienoic acid
MOLECULAR FORMULA: C20H36O2
MOLECULAR WEIGHT: 308.49864
SMILES: CCCC/C=C/CCC/C=C/CCCCCCCCC(=O)O
Structure:
CAS RN: 145701-08-2
CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-[[(2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14S,15R,17S)-17-acetyl-14,15-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydr
OPENEYE Name: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14S,15R,17S)-17-acetyl-14,15-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trih
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14S,15R,17S)-17-acetyl-14,15-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14S,15R,17S)-17-ethanoyl-10,13-dimethyl-14,15-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(
MOLECULAR FORMULA: C44H62O18
MOLECULAR WEIGHT: 878.95228
SMILES: CC(=O)[C@H]1C[C@H]([C@]2([C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/C7=CC(=C(C(=C7)OC)O)OC)O)O)O)C)C)O)O
Structure:
CAS RN: 145682-70-8
CAS Name: (E,2S)-2-amino-4-fluoranyl-3-(2-fluoranyl-5-hydroxyphenyl)-3-butenoic acid
OPENEYE Name: (E,2S)-2-amino-4-fluoranyl-3-(2-fluoranyl-5-hydroxy-phenyl)but-3-enoic acid
IUPAC Name: (E,2S)-2-amino-4-fluoranyl-3-(2-fluoranyl-5-hydroxyphenyl)but-3-enoic acid
SYSTEMATIC NAME: (E,2S)-2-azanyl-4-fluoranyl-3-(2-fluoranyl-5-oxidanyl-phenyl)but-3-enoic acid
MOLECULAR FORMULA: C10H9F2NO3
MOLECULAR WEIGHT: 227.185235
SMILES: C1=CC(=C(C=C1O)/C(=C\[18F])/[C@@H](C(=O)O)N)[18F]
Structure:
CAS RN: 145613-84-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H27NO11
MOLECULAR WEIGHT: 601.55688
SMILES: COC1=CC=CC2=C3C4=C(C=C21)N(C(=O)C4=CC5=C3OCO5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/C7=CC=C(C=C7)O)O)O)O
Structure:
CAS RN: 145403-31-2
CAS Name: 4-[2-hydroxy-7-[5-[(E)-1,4,5-trihydroxyheneicos-8-enyl]-2-oxolanyl]heptyl]-2-methyl-2H-furan-5-one
OPENEYE Name: 4-[2-hydroxy-7-[5-[(E)-1,4,5-trihydroxyhenicos-8-enyl]tetrahydrofuran-2-yl]heptyl]-2-methyl-2H-furan-5-one
IUPAC Name: 4-[2-hydroxy-7-[5-[(E)-1,4,5-trihydroxyhenicos-8-enyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: 2-methyl-4-[2-oxidanyl-7-[5-[(E)-1,4,5-tris(oxidanyl)henicos-8-enyl]oxolan-2-yl]heptyl]-2H-furan-5-one
MOLECULAR FORMULA: C37H66O7
MOLECULAR WEIGHT: 622.91574
SMILES: CCCCCCCCCCCC/C=C/CCC(C(CCC(C1CCC(O1)CCCCCC(CC2=CC(OC2=O)C)O)O)O)O
Structure:
CAS RN: 145401-48-5
CAS Name: (E)-2-amino-3,4,5-trihydroxy-2-methyl-14-oxo-6-eicosenoic acid
OPENEYE Name: (E)-2-amino-3,4,5-trihydroxy-2-methyl-14-oxo-icos-6-enoic acid
IUPAC Name: (E)-2-amino-3,4,5-trihydroxy-2-methyl-14-oxoicos-6-enoic acid
SYSTEMATIC NAME: (E)-2-azanyl-2-methyl-3,4,5-tris(oxidanyl)-14-oxidanylidene-icos-6-enoic acid
MOLECULAR FORMULA: C21H39NO6
MOLECULAR WEIGHT: 401.53746
SMILES: CCCCCCC(=O)CCCCCC/C=C/C(C(C(C(C)(C(=O)O)N)O)O)O
Structure:
CAS RN: 145401-47-4
CAS Name: (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic acid
OPENEYE Name: (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxo-icos-6-enoic acid
IUPAC Name: (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
SYSTEMATIC NAME: (E)-2-azanyl-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-14-oxidanylidene-icos-6-enoic acid
MOLECULAR FORMULA: C21H39NO7
MOLECULAR WEIGHT: 417.53686
SMILES: CCCCCCC(=O)CCCCCC/C=C/C(C(C(C(CO)(C(=O)O)N)O)O)O
Structure:
CAS RN: 145178-65-0
CAS Name: (6Z,8E,10E,12Z)-octadeca-6,8,10,12-tetraenoic acid
OPENEYE Name: (6Z,8E,10E,12Z)-octadeca-6,8,10,12-tetraenoic acid
IUPAC Name: (6Z,8E,10E,12Z)-octadeca-6,8,10,12-tetraenoic acid
SYSTEMATIC NAME: (6Z,8E,10E,12Z)-octadeca-6,8,10,12-tetraenoic acid
MOLECULAR FORMULA: C18H28O2
MOLECULAR WEIGHT: 276.41372
SMILES: CCCCC/C=C\C=C\C=C\C=C/CCCCC(=O)O
Structure:
CAS RN: 145147-05-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H37NO7
MOLECULAR WEIGHT: 475.57448
SMILES: CCCCCCC(C)/C=C(\C)/C=C/C(=O)NC1=C(OC2(C1)C3C(O3)C(C4C2O4)(CC(=O)C)O)O
Structure:
CAS RN: 145147-04-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H33NO6
MOLECULAR WEIGHT: 419.51122
SMILES: CCCCCCC(C)/C=C(\C)/C=C/C(=O)NC1=C(OC2(C1)C3C(O3)C(C4C2O4)O)O
Structure:
CAS RN: 145144-33-8
CAS Name: 3,4-dihydroxy-5-[(8E,10E,14E,16E)-1,2,3,4,5-pentahydroxy-6,20-dimethylheneicosa-8,10,14,16-tetraenyl]-2-oxolanone
OPENEYE Name: 3,4-dihydroxy-5-[(8E,10E,14E,16E)-1,2,3,4,5-pentahydroxy-6,20-dimethyl-henicosa-8,10,14,16-tetraenyl]tetrahydrofuran-2-one
IUPAC Name: 3,4-dihydroxy-5-[(8E,10E,14E,16E)-1,2,3,4,5-pentahydroxy-6,20-dimethylhenicosa-8,10,14,16-tetraenyl]oxolan-2-one
SYSTEMATIC NAME: 5-[(8E,10E,14E,16E)-6,20-dimethyl-1,2,3,4,5-pentakis(oxidanyl)henicosa-8,10,14,16-tetraenyl]-3,4-bis(oxidanyl)oxolan-2-one
MOLECULAR FORMULA: C27H44O9
MOLECULAR WEIGHT: 512.63286
SMILES: CC(C)CC/C=C/C=C/CC/C=C/C=C/CC(C)C(C(C(C(C(C1C(C(C(=O)O1)O)O)O)O)O)O)O
Structure:
CAS RN: 145142-82-1
CAS Name: 6-methyloctanoic acid [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] ester
OPENEYE Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 6-methyloctanoate
IUPAC Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 6-methyloctanoate
SYSTEMATIC NAME: [3-[(1E,3E,9E)-8-(2-azanylethyl)-10-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-5,8-bis(oxidanyl)-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 6-methyloctanoate
MOLECULAR FORMULA: C34H56NO10P
MOLECULAR WEIGHT: 669.782901
SMILES: CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCC(C2)OC(=O)CCCCC(C)CC)O)OP(=O)(O)O)O
Structure:
CAS RN: 88099-35-8
CAS Name: (5R,6E,8Z,10E,12S)-5,12-dihydroxyeicosa-6,8,10-trienoic acid
OPENEYE Name: (5R,6E,8Z,10E,12S)-5,12-dihydroxyicosa-6,8,10-trienoic acid
IUPAC Name: (5R,6E,8Z,10E,12S)-5,12-dihydroxyicosa-6,8,10-trienoic acid
SYSTEMATIC NAME: (5R,6E,8Z,10E,12S)-5,12-bis(oxidanyl)icosa-6,8,10-trienoic acid
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: CCCCCCCC[C@@H](/C=C/C=C\C=C\[C@@H](CCCC(=O)O)O)O
Structure:
CAS RN: 87983-63-9
CAS Name: (Z)-7-[(1S,2R,3S,4R)-3-[(E)-3-hydroxy-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1S,2R,3S,4R)-3-[(E)-3-hydroxy-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1S,2R,3S,4R)-3-[(E)-3-hydroxy-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1S,2R,3S,4R)-3-[(E)-3-oxidanyl-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: CC(C1=CC=CC=C1)C(/C=C/[C@@H]2[C@H]3CC[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O3)O
Structure:
CAS RN: 77913-02-1
CAS Name: propanoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester
OPENEYE Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] propanoate
IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] propanoate
SYSTEMATIC NAME: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] propanoate
MOLECULAR FORMULA: C12H13NO5
MOLECULAR WEIGHT: 251.23532
SMILES: CCC(=O)OC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])OC
Structure:
CAS RN: 144978-95-0
CAS Name: [(2R,3S,4R,5R)-5-[5-[(E)-3-[(2-bromo-1-oxoethyl)amino]prop-2-enyl]-2,4-dioxo-1-pyrimidinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-[5-[(E)-3-[(2-bromoacetyl)amino]allyl]-2,4-dioxo-pyrimidin-1-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-[5-[(E)-3-[(2-bromoacetyl)amino]prop-2-enyl]-2,4-dioxopyrimidin-1-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-[5-[(E)-3-(2-bromanylethanoylamino)prop-2-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C14H19BrN3O10P
MOLECULAR WEIGHT: 500.192521
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O)C/C=C/NC(=O)CBr
Structure:
CAS RN: 144860-79-7
CAS Name: (Z)-2-butenedioic acid; 3-(6-chloro-2-pyrazinyl)-1-azabicyclo[2.2.2]octane
OPENEYE Name: 3-(6-chloropyrazin-2-yl)quinuclidine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 3-(6-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-(6-chloranylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C15H18ClN3O4
MOLECULAR WEIGHT: 339.77412
SMILES: C1CN2CCC1C(C2)C3=CN=CC(=N3)Cl.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 144501-27-9
CAS Name: (E,3S,5R)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-yl-1-imidazolyl]-3,5-dihydroxy-6-heptenoic acid
OPENEYE Name: (E,3S,5R)-7-[4,5-bis(4-fluorophenyl)-2-isopropyl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid
IUPAC Name: (E,3S,5R)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
SYSTEMATIC NAME: (E,3S,5R)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-yl-imidazol-1-yl]-3,5-bis(oxidanyl)hept-6-enoic acid
MOLECULAR FORMULA: C25H26F2N2O4
MOLECULAR WEIGHT: 456.481746
SMILES: CC(C)C1=NC(=C(N1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
Structure:
CAS RN: 144210-47-9
CAS Name: (E,6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-heptenoic acid methyl ester
OPENEYE Name: methyl (E,6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoate
IUPAC Name: methyl (E,6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoate
SYSTEMATIC NAME: methyl (E,6R)-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoate
MOLECULAR FORMULA: C28H46O5
MOLECULAR WEIGHT: 462.66184
SMILES: C[C@H](CC/C=C(\C)/C(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
Structure:
CAS RN: 143838-79-3
CAS Name: acetic acid [(2R,3S,4R,5R)-3-acetyloxy-5-[[(2S,3S,4R,5R)-3-acetyloxy-4,5-dihydroxy-2-oxanyl]oxy]-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-4-oxanyl] ester
OPENEYE Name: [(2R,3S,4R,5R)-3-acetoxy-5-[(2S,3S,4R,5R)-3-acetoxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]tetrahydropyran-4-yl] acetate
IUPAC Name: [(2R,3S,4R,5R)-3-acetyloxy-5-[(2S,3S,4R,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]oxan-4-yl] acetate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-3-acetyloxy-5-[(2S,3S,4R,5R)-3-acetyloxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]oxan-4-yl] ethanoate
MOLECULAR FORMULA: C31H48O12
MOLECULAR WEIGHT: 612.70562
SMILES: CC(=CCC/C(=C/CC/C(=C/CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O[C@H]2[C@H]([C@@H]([C@@H](CO2)O)O)OC(=O)C)OC(=O)C)OC(=O)C)/C)/C)C
Structure:
CAS RN: 143816-23-3
CAS Name: (E,4S)-4-amino-6-methyl-2-heptenoic acid
OPENEYE Name: (E,4S)-4-amino-6-methyl-hept-2-enoic acid
IUPAC Name: (E,4S)-4-amino-6-methylhept-2-enoic acid
SYSTEMATIC NAME: (E,4S)-4-azanyl-6-methyl-hept-2-enoic acid
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: CC(C)C[C@@H](/C=C/C(=O)O)N
Structure:
CAS RN: 143413-84-7
CAS Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]propyl]ammonio]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]propyl]ammonium tetraiodide
OPENEYE Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonio]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonium tetraiodide
IUPAC Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium tetraiodide
SYSTEMATIC NAME: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium tetraiodide
MOLECULAR FORMULA: C49H58I4N6S2
MOLECULAR WEIGHT: 1302.7729
SMILES: CN1/C(=C/C2=CC=[N+](C3=CC=CC=C23)CCC[N+](CCC[N+](CCC[N+]4=CC=C(C5=CC=CC=C45)/C=C/6\SC7=CC=CC=C7N6C)(C)C)(C)C)/SC8=CC=CC=C18.[I-].[I-].[I-].[I-]
Structure:
CAS RN: 146087-17-4
CAS Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]propyl]ammonio]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]propyl]ammonium tetraiodide
OPENEYE Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonio]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonium tetraiodide
IUPAC Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium tetraiodide
SYSTEMATIC NAME: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium tetraiodide
MOLECULAR FORMULA: C49H58I4N6S2
MOLECULAR WEIGHT: 1302.7729
SMILES: CN1/C(=C/C2=CC=[N+](C3=CC=CC=C23)CCC[N+](CCC[N+](CCC[N+]4=CC=C(C5=CC=CC=C45)/C=C/6\SC7=CC=CC=C7N6C)(C)C)(C)C)/SC8=CC=CC=C18.[I-].[I-].[I-].[I-]
Structure:
CAS RN: 169454-14-2
CAS Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]propyl]ammonio]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]propyl]ammonium tetraiodide
OPENEYE Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonio]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonium tetraiodide
IUPAC Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium tetraiodide
SYSTEMATIC NAME: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium tetraiodide
MOLECULAR FORMULA: C49H58I4N6S2
MOLECULAR WEIGHT: 1302.7729
SMILES: CN1/C(=C/C2=CC=[N+](C3=CC=CC=C23)CCC[N+](CCC[N+](CCC[N+]4=CC=C(C5=CC=CC=C45)/C=C/6\SC7=CC=CC=C7N6C)(C)C)(C)C)/SC8=CC=CC=C18.[I-].[I-].[I-].[I-]
Structure:
CAS RN: 174623-88-2
CAS Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]propyl]ammonio]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]propyl]ammonium tetraiodide
OPENEYE Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonio]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonium tetraiodide
IUPAC Name: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium tetraiodide
SYSTEMATIC NAME: 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium tetraiodide
MOLECULAR FORMULA: C49H58I4N6S2
MOLECULAR WEIGHT: 1302.7729
SMILES: CN1/C(=C/C2=CC=[N+](C3=CC=CC=C23)CCC[N+](CCC[N+](CCC[N+]4=CC=C(C5=CC=CC=C45)/C=C/6\SC7=CC=CC=C7N6C)(C)C)(C)C)/SC8=CC=CC=C18.[I-].[I-].[I-].[I-]
Structure:
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