CAS RN: 104992-94-1
CAS Name: acetic acid [(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] ester
OPENEYE Name: [(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
IUPAC Name: [(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
SYSTEMATIC NAME: [(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] ethanoate
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: C/C/1=C/CC/C(=C\[C@H](C/C(=C\[C@H]2[C@H](CC1)C(=C)C(=O)O2)/C)OC(=O)C)/C
Structure:
CAS RN: 104992-93-0
CAS Name: acetic acid [(3aR,6Z,9R,10Z,14Z,15aS)-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-9-yl] ester
OPENEYE Name: [(3aR,6Z,9R,10Z,14Z,15aS)-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-9-yl] acetate
IUPAC Name: [(3aR,6Z,9R,10Z,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-9-yl] acetate
SYSTEMATIC NAME: [(3aR,6Z,9R,10Z,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-9-yl] ethanoate
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: C/C/1=C/C[C@H](/C(=C\CC/C(=C\[C@H]2[C@H](CC1)C(=C)C(=O)O2)/C)/C)OC(=O)C
Structure:
CAS RN: 104992-92-9
CAS Name: acetic acid [(3aR,4R,6Z,10Z,12R,14Z,15aR)-4-acetyloxy-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] ester
OPENEYE Name: [(3aR,4R,6Z,10Z,12R,14Z,15aR)-4-acetoxy-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
IUPAC Name: [(3aR,4R,6Z,10Z,12R,14Z,15aR)-4-acetyloxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
SYSTEMATIC NAME: [(3aR,4R,6Z,10Z,12R,14Z,15aR)-4-acetyloxy-6,10,14-trimethyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] ethanoate
MOLECULAR FORMULA: C24H32O6
MOLECULAR WEIGHT: 416.50728
SMILES: C/C/1=C/[C@@H](C/C(=C\[C@@H]2[C@@H]([C@@H](C/C(=C\CC1)/C)OC(=O)C)C(=C)C(=O)O2)/C)OC(=O)C
Structure:
CAS RN: 104992-91-8
CAS Name: acetic acid [(3aS,4S,6Z,10Z,12S,14Z,15aS)-4-hydroxy-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] ester
OPENEYE Name: [(3aS,4S,6Z,10Z,12S,14Z,15aS)-4-hydroxy-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
IUPAC Name: [(3aS,4S,6Z,10Z,12S,14Z,15aS)-4-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
SYSTEMATIC NAME: [(3aS,4S,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-4-oxidanyl-2-oxidanylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] ethanoate
MOLECULAR FORMULA: C22H30O5
MOLECULAR WEIGHT: 374.4706
SMILES: C/C/1=C/[C@H](C/C(=C\[C@H]2[C@H]([C@H](C/C(=C\CC1)/C)O)C(=C)C(=O)O2)/C)OC(=O)C
Structure:
CAS RN: 104992-90-7
CAS Name: (3aS,4S,6Z,10Z,12S,14Z,15aS)-4,12-dihydroxy-6,10,14-trimethyl-3-methylene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
OPENEYE Name: (3aS,4S,6Z,10Z,12S,14Z,15aS)-4,12-dihydroxy-6,10,14-trimethyl-3-methylene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
IUPAC Name: (3aS,4S,6Z,10Z,12S,14Z,15aS)-4,12-dihydroxy-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
SYSTEMATIC NAME: (3aS,4S,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-4,12-bis(oxidanyl)-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
MOLECULAR FORMULA: C20H28O4
MOLECULAR WEIGHT: 332.43392
SMILES: C/C/1=C/[C@H](C/C(=C\[C@H]2[C@H]([C@H](C/C(=C\CC1)/C)O)C(=C)C(=O)O2)/C)O
Structure:
CAS RN: 85700-43-2
CAS Name: (E,4R,7E)-4-acetyloxy-7-[2-acetyloxy-2-[(Z)-oct-2-enyl]-5-oxo-1-cyclopent-3-enylidene]-5-heptenoic acid methyl ester
OPENEYE Name: methyl (E,4R,7E)-4-acetoxy-7-[2-acetoxy-2-[(Z)-oct-2-enyl]-5-oxo-cyclopent-3-en-1-ylidene]hept-5-enoate
IUPAC Name: methyl (E,4R,7E)-4-acetyloxy-7-[2-acetyloxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
SYSTEMATIC NAME: methyl (E,4R,7E)-4-acetyloxy-7-[2-acetyloxy-2-[(Z)-oct-2-enyl]-5-oxidanylidene-cyclopent-3-en-1-ylidene]hept-5-enoate
MOLECULAR FORMULA: C25H34O7
MOLECULAR WEIGHT: 446.53326
SMILES: CCCCC/C=C\CC\1(C=CC(=O)/C1=C/C=C/[C@@H](CCC(=O)OC)OC(=O)C)OC(=O)C
Structure:
CAS RN: 85609-79-6
CAS Name: 8-[(E)-dimethylaminoazo]-7-ethyl-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 8-[(E)-dimethylaminoazo]-7-ethyl-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 8-[(E)-dimethylaminodiazenyl]-7-ethyl-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 8-[(E)-dimethylaminodiazenyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C11H17N7O2
MOLECULAR WEIGHT: 279.29838
SMILES: CCN1C2=C(N=C1/N=N/N(C)C)N(C(=O)N(C2=O)C)C
Structure:
CAS RN: 85540-98-3
CAS Name: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-5b,8,8,11a-tetramethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid
OPENEYE Name: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-isopropenyl-5b,8,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid
IUPAC Name: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid
SYSTEMATIC NAME: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5b,8,8,11a-tetramethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid
MOLECULAR FORMULA: C39H54O6
MOLECULAR WEIGHT: 618.84246
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C(=O)O)C)(C)C)O)C)COC(=O)/C=C/C6=CC=C(C=C6)O
Structure:
CAS RN: 85527-84-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H46O10
MOLECULAR WEIGHT: 602.71234
SMILES: CCCCCC/C=C/C=C/C(=O)OC1C(C2(C3C=C(C(=O)C3(C=C(C(C2C4C1(C4(C)C)OC(=O)C)OO)CO)O)C)O)C
Structure:
CAS RN: 104973-52-6
CAS Name: (E,4R)-4-[(2R)-2-acetamido-1-oxo-3-phenylpropoxy]-4-[(2R)-2-methyl-2-oxiranyl]-2-butenoic acid methyl ester
OPENEYE Name: methyl (E,4R)-4-[(2R)-2-acetamido-3-phenyl-propanoyl]oxy-4-[(2R)-2-methyloxiran-2-yl]but-2-enoate
IUPAC Name: methyl (E,4R)-4-[(2R)-2-acetamido-3-phenylpropanoyl]oxy-4-[(2R)-2-methyloxiran-2-yl]but-2-enoate
SYSTEMATIC NAME: methyl (E,4R)-4-[(2R)-2-acetamido-3-phenyl-propanoyl]oxy-4-[(2R)-2-methyloxiran-2-yl]but-2-enoate
MOLECULAR FORMULA: C19H23NO6
MOLECULAR WEIGHT: 361.38902
SMILES: CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O[C@H](/C=C/C(=O)OC)[C@]2(CO2)C
Structure:
CAS RN: 104715-57-3
CAS Name: (E)-4-(6-aminopurin-9-yl)-2-buten-1-ol
OPENEYE Name: (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol
IUPAC Name: (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol
SYSTEMATIC NAME: (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol
MOLECULAR FORMULA: C9H11N5O
MOLECULAR WEIGHT: 205.21654
SMILES: C1=NC2=C(C(=N1)N)N=CN2C/C=C/CO
Structure:
CAS RN: 104700-97-2
CAS Name: (10S,13R,14R,17S)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (10S,13R,14R,17S)-17-[(E,1R)-6-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (10S,13R,14R,17S)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (10S,13R,14R,17S)-4,4,10,13,14-pentamethyl-17-[(E,2R)-6-methyl-7-oxidanyl-hept-5-en-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C30H46O2
MOLECULAR WEIGHT: 438.68504
SMILES: C[C@H](CC/C=C(\C)/CO)[C@@H]1CC[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C
Structure:
CAS RN: 84906-73-0
CAS Name: (4Z,6R,7S,8S,10Z,12Z,14Z,16R)-6,8,22,24-tetrahydroxy-16-methoxy-5,7-dimethyl-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-18-one
OPENEYE Name: (4Z,6R,7S,8S,10Z,12Z,14Z,16R)-6,8,22,24-tetrahydroxy-16-methoxy-5,7-dimethyl-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-18-one
IUPAC Name: (4Z,6R,7S,8S,10Z,12Z,14Z,16R)-6,8,22,24-tetrahydroxy-16-methoxy-5,7-dimethyl-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-18-one
SYSTEMATIC NAME: (4Z,6R,7S,8S,10Z,12Z,14Z,16R)-16-methoxy-5,7-dimethyl-6,8,22,24-tetrakis(oxidanyl)-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-18-one
MOLECULAR FORMULA: C26H35NO6
MOLECULAR WEIGHT: 457.5592
SMILES: C[C@H]1[C@H](C/C=C\C=C/C=C\[C@@H](CC(=O)NC2=C(C(=CC(=C2)O)CC/C=C(\[C@@H]1O)/C)O)OC)O
Structure:
CAS RN: 104700-96-1
CAS Name: (3S,10S,13R,14R,17S)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,10S,13R,14R,17S)-17-[(E,1R)-6-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,10S,13R,14R,17S)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,10S,13R,14R,17S)-4,4,10,13,14-pentamethyl-17-[(E,2R)-6-methyl-7-oxidanyl-hept-5-en-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C30H48O2
MOLECULAR WEIGHT: 440.70092
SMILES: C[C@H](CC/C=C(\C)/CO)[C@@H]1CC[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Structure:
CAS RN: 104700-94-9
CAS Name: (4aR,5S,6R,8S,8aR)-8-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
OPENEYE Name: (4aR,5S,6R,8S,8aR)-8-hydroxy-5-[(E)-5-hydroxy-3-methyl-pent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
IUPAC Name: (4aR,5S,6R,8S,8aR)-8-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
SYSTEMATIC NAME: (4aR,5S,6R,8S,8aR)-5,6,8a-trimethyl-5-[(E)-3-methyl-5-oxidanyl-pent-3-enyl]-8-oxidanyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CC/C(=C/CO)/C)CCC=C2C(=O)O)C)O
Structure:
CAS RN: 104693-32-5
CAS Name: (Z)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-5-enoic acid
MOLECULAR FORMULA: C19H26O4
MOLECULAR WEIGHT: 318.40734
SMILES: CC1(OC[C@H]([C@H](O1)C2=CC=CC=C2)C/C=C\CCCC(=O)O)C
Structure:
CAS RN: 104672-13-1
CAS Name: (Z)-9-octadecenoic acid [(2R)-1-hexadecoxy-3-[hydroxy-[2-(1-oxohexadecylamino)ethoxy]phosphoryl]oxypropan-2-yl] ester
OPENEYE Name: [(1R)-1-[[2-(hexadecanoylamino)ethoxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecoxy-ethyl] (Z)-octadec-9-enoate
IUPAC Name: [(2R)-1-[2-(hexadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [(2R)-1-[2-(hexadecanoylamino)ethoxy-oxidanyl-phosphoryl]oxy-3-hexadecoxy-propan-2-yl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C55H108NO8P
MOLECULAR WEIGHT: 942.421681
SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCNC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 104652-80-4
CAS Name: (1E)-1-(2-hexan-2-yl-1-$l^{1}-oxidanyl-2,3,5,5-tetramethyl-4-imidazolidinylidene)-3-iodo-2-propanone
OPENEYE Name: (3E)-1-iodo-3-[1-$l^{1}-oxidanyl-2,3,5,5-tetramethyl-2-(1-methylpentyl)imidazolidin-4-ylidene]propan-2-one
IUPAC Name: (1E)-1-(2-hexan-2-yl-1-$l^{1}-oxidanyl-2,3,5,5-tetramethylimidazolidin-4-ylidene)-3-iodopropan-2-one
SYSTEMATIC NAME: (1E)-1-(2-hexan-2-yl-1-$l^{1}-oxidanyl-2,3,5,5-tetramethyl-imidazolidin-4-ylidene)-3-iodanyl-propan-2-one
MOLECULAR FORMULA: C16H28IN2O2
MOLECULAR WEIGHT: 407.31019
SMILES: CCCCC(C)C1(N(/C(=C/C(=O)CI)/C(N1[O])(C)C)C)C
Structure:
CAS RN: 84435-25-6
CAS Name: 2-[2-chloro-4-formyl-5-hydroxy-3-methyl-6-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]phenoxy]acetic acid
OPENEYE Name: 2-[2-chloro-4-formyl-5-hydroxy-3-methyl-6-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxo-cyclohexyl]penta-2,4-dienyl]phenoxy]acetic acid
IUPAC Name: 2-[2-chloro-4-formyl-5-hydroxy-3-methyl-6-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[2-chloranyl-4-methanoyl-3-methyl-6-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxidanylidene-cyclohexyl]penta-2,4-dienyl]-5-oxidanyl-phenoxy]ethanoic acid
MOLECULAR FORMULA: C25H31ClO6
MOLECULAR WEIGHT: 462.96304
SMILES: C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2OCC(=O)O)Cl)C)C=O)O)/C)C
Structure:
CAS RN: 84418-34-8
CAS Name: 2-hydroxy-3-(1-naphthalenyloxy)-N-propan-2-yl-1-propanimine oxide
OPENEYE Name: 2-hydroxy-N-isopropyl-3-(1-naphthyloxy)propan-1-imine oxide
IUPAC Name: 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide
SYSTEMATIC NAME: 3-naphthalen-1-yloxy-2-oxidanyl-N-propan-2-yl-propan-1-imine oxide
MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: CC(C)/[N+](=C/C(COC1=CC=CC2=CC=CC=C21)O)/[O-]
Structure:
CAS RN: 104613-44-7
CAS Name: (1R,4S,5Z,8R,9R)-4-hydroxy-5-methyl-8-(1-methylethenyl)-10-oxabicyclo[7.2.1]dodec-5-en-11-one
OPENEYE Name: (1R,4S,5Z,8R,9R)-4-hydroxy-8-isopropenyl-5-methyl-10-oxabicyclo[7.2.1]dodec-5-en-11-one
IUPAC Name: (1R,4S,5Z,8R,9R)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodec-5-en-11-one
SYSTEMATIC NAME: (1R,4S,5Z,8R,9R)-5-methyl-4-oxidanyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodec-5-en-11-one
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: C/C/1=C/C[C@@H]([C@H]2C[C@@H](CC[C@@H]1O)C(=O)O2)C(=C)C
Structure:
CAS RN: 84217-11-8
CAS Name: (5Z)-5-[(3aR,4R,5R,6aR)-3-fluoro-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
OPENEYE Name: (5Z)-5-[(3aR,4R,5R,6aR)-3-fluoro-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
IUPAC Name: (5Z)-5-[(3aR,4R,5R,6aR)-3-fluoro-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
SYSTEMATIC NAME: (5Z)-5-[(3aR,4R,5R,6aR)-3-fluoranyl-5-oxidanyl-4-[(E,3S)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
MOLECULAR FORMULA: C20H31FO5
MOLECULAR WEIGHT: 370.455543
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]2[C@@H]1C(/C(=C/CCCC(=O)O)/O2)F)O)O
Structure:
CAS RN: 104544-35-6
CAS Name: 2-[(1E,3E,5E)-7-ethoxy-3-methyl-7-oxohepta-1,3,5-trienyl]-1,3-dimethyl-4-oxo-1-cyclohexanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(1E,3E,5E)-7-ethoxy-3-methyl-7-oxo-hepta-1,3,5-trienyl]-1,3-dimethyl-4-oxo-cyclohexanecarboxylate
IUPAC Name: ethyl 2-[(1E,3E,5E)-7-ethoxy-3-methyl-7-oxohepta-1,3,5-trienyl]-1,3-dimethyl-4-oxocyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 2-[(1E,3E,5E)-7-ethoxy-3-methyl-7-oxidanylidene-hepta-1,3,5-trienyl]-1,3-dimethyl-4-oxidanylidene-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: CCOC(=O)/C=C/C=C(\C)/C=C/C1C(C(=O)CCC1(C)C(=O)OCC)C
Structure:
CAS RN: 84109-09-1
CAS Name: (2Z)-2-[(E)-3-(3,3-dimethyl-1-tetradecyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethyl-1-tetradecylindole
OPENEYE Name: 2-[(E,3Z)-3-(3,3-dimethyl-1-tetradecyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-1-tetradecyl-indol-1-ium
IUPAC Name: (2Z)-2-[(E)-3-(3,3-dimethyl-1-tetradecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-tetradecylindole
SYSTEMATIC NAME: (2Z)-2-[(E)-3-(3,3-dimethyl-1-tetradecyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-tetradecyl-indole
MOLECULAR FORMULA: C51H81N2+
MOLECULAR WEIGHT: 722.20224
SMILES: CCCCCCCCCCCCCCN\1C2=CC=CC=C2C(/C1=C/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCC)(C)C
Structure:
CAS RN: 84109-08-0
CAS Name: (2Z)-1-dodecyl-2-[(E)-3-(1-dodecyl-3,3-dimethyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethylindole perchlorate
OPENEYE Name: 1-dodecyl-2-[(E,3Z)-3-(1-dodecyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium perchlorate
IUPAC Name: (2Z)-1-dodecyl-2-[(E)-3-(1-dodecyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole perchlorate
SYSTEMATIC NAME: (2Z)-1-dodecyl-2-[(E)-3-(1-dodecyl-3,3-dimethyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole perchlorate
MOLECULAR FORMULA: C47H73ClN2O4
MOLECULAR WEIGHT: 765.54652
SMILES: CCCCCCCCCCCCN\1C2=CC=CC=C2C(/C1=C/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 83861-61-4
CAS Name: (5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxyheneicosa-6,8,10,14-tetraenedioic acid
OPENEYE Name: (5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxyhenicosa-6,8,10,14-tetraenedioic acid
IUPAC Name: (5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxyhenicosa-6,8,10,14-tetraenedioic acid
SYSTEMATIC NAME: (5R,6E,8Z,10E,12S,14Z)-5,12-bis(oxidanyl)henicosa-6,8,10,14-tetraenedioic acid
MOLECULAR FORMULA: C21H32O6
MOLECULAR WEIGHT: 380.47518
SMILES: C(CC/C=C\C[C@@H](/C=C/C=C\C=C\[C@@H](CCCC(=O)O)O)O)CCC(=O)O
Structure:
CAS RN: 83771-36-2
CAS Name: (4E,7E,10E,13E,16E,19E)-22-hydroperoxydocosa-4,7,10,13,16,19-hexaenoic acid
OPENEYE Name: (4E,7E,10E,13E,16E,19E)-22-hydroperoxydocosa-4,7,10,13,16,19-hexaenoic acid
IUPAC Name: (4E,7E,10E,13E,16E,19E)-22-hydroperoxydocosa-4,7,10,13,16,19-hexaenoic acid
SYSTEMATIC NAME: (4E,7E,10E,13E,16E,19E)-22-(dioxidanyl)docosa-4,7,10,13,16,19-hexaenoic acid
MOLECULAR FORMULA: C22H32O4
MOLECULAR WEIGHT: 360.48708
SMILES: C(CC(=O)O)/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCOO
Structure:
CAS RN: 83677-24-1
CAS Name: (3E)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-oxolanone
OPENEYE Name: (3E)-3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]tetrahydrofuran-2-one
IUPAC Name: (3E)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]oxolan-2-one
SYSTEMATIC NAME: (3E)-3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]oxolan-2-one
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\CCOC2=O
Structure:
CAS RN: 83644-00-2
CAS Name: 4-[(E)-5-(3,4-dihydroxyphenyl)pent-1-en-4-ynyl]benzene-1,2-diol
OPENEYE Name: 4-[(E)-5-(3,4-dihydroxyphenyl)pent-1-en-4-ynyl]benzene-1,2-diol
IUPAC Name: 4-[(E)-5-(3,4-dihydroxyphenyl)pent-1-en-4-ynyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[(E)-5-[3,4-bis(oxidanyl)phenyl]pent-1-en-4-ynyl]benzene-1,2-diol
MOLECULAR FORMULA: C17H14O4
MOLECULAR WEIGHT: 282.29066
SMILES: C1=CC(=C(C=C1/C=C/CC#CC2=CC(=C(C=C2)O)O)O)O
Structure:
CAS RN: 104302-36-5
CAS Name: 1-amino-2-[(E)-2-hexyldodec-2-enyl]guanidine
OPENEYE Name: 1-amino-2-[(E)-2-hexyldodec-2-enyl]guanidine
IUPAC Name: 1-amino-2-[(E)-2-hexyldodec-2-enyl]guanidine
SYSTEMATIC NAME: 1-azanyl-2-[(E)-2-hexyldodec-2-enyl]guanidine
MOLECULAR FORMULA: C19H40N4
MOLECULAR WEIGHT: 324.5477
SMILES: CCCCCCCCC/C=C(\CCCCCC)/CN=C(N)NN
Structure:
CAS RN: 104227-11-4
CAS Name: (5E,7E,9E)-4,11-dihydroxy-13-(4-methoxyphenyl)-1-(1-pyrrolidinyl)-1-trideca-5,7,9-trienone
OPENEYE Name: (5E,7E,9E)-4,11-dihydroxy-13-(4-methoxyphenyl)-1-pyrrolidin-1-yl-trideca-5,7,9-trien-1-one
IUPAC Name: (5E,7E,9E)-4,11-dihydroxy-13-(4-methoxyphenyl)-1-pyrrolidin-1-yltrideca-5,7,9-trien-1-one
SYSTEMATIC NAME: (5E,7E,9E)-13-(4-methoxyphenyl)-4,11-bis(oxidanyl)-1-pyrrolidin-1-yl-trideca-5,7,9-trien-1-one
MOLECULAR FORMULA: C24H33NO4
MOLECULAR WEIGHT: 399.52312
SMILES: COC1=CC=C(C=C1)CCC(/C=C/C=C/C=C/C(CCC(=O)N2CCCC2)O)O
Structure:
CAS RN: 104211-73-6
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(E,2R)-6-hydroxy-5,5,6-trimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(E,1R)-5-hydroxy-1,4,4,5-tetramethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(E,2R)-6-hydroxy-5,5,6-trimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[(E,2R)-5,5,6-trimethyl-6-oxidanyl-hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C29H46O3
MOLECULAR WEIGHT: 442.67374
SMILES: C[C@H](/C=C/C(C)(C)C(C)(C)O)[C@@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
Structure:
CAS RN: 104211-64-5
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5,5,6-trimethylhept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R)-1,4,4,5-tetramethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5,5,6-trimethylhept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-5,5,6-trimethylhept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C29H46O2
MOLECULAR WEIGHT: 426.67434
SMILES: C[C@H](/C=C/C(C)(C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
Structure:
CAS RN: 104162-13-2
CAS Name: (Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,2-dimethyl-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,2-dimethyl-hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,2-dimethylhept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,2-dimethyl-hept-5-enoic acid
MOLECULAR FORMULA: C22H38O4
MOLECULAR WEIGHT: 366.53472
SMILES: CCCCCCOC[C@H]1[C@@H]2CC[C@H]([C@H]1C/C=C\CCC(C)(C)C(=O)O)O2
Structure:
CAS RN: 104121-92-8
CAS Name: (1S,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-(3-oxidanylpropoxy)cyclohexane-1,3-diol
MOLECULAR FORMULA: C30H50O5
MOLECULAR WEIGHT: 490.715
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H]([C@@H]([C@H](C3=C)O)OCCCO)O)C
Structure:
CAS RN: 104012-37-5
CAS Name: (E)-3-methyl-2-pentenoic acid [(1R,3aR,5R,7S,7aS)-1-(1-acetyloxyethyl)-4-methylene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] ester
OPENEYE Name: [(1R,3aR,5R,7S,7aS)-1-(1-acetoxyethyl)-7-isopropyl-4-methylene-2-oxo-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
IUPAC Name: [(1R,3aR,5R,7S,7aS)-1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
SYSTEMATIC NAME: [(1R,3aR,5R,7S,7aS)-1-(1-acetyloxyethyl)-4-methylidene-2-oxidanylidene-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: CC/C(=C/C(=O)O[C@@H]1C[C@H]([C@H]2[C@H](C1=C)CC(=O)[C@H]2C(C)OC(=O)C)C(C)C)/C
Structure:
CAS RN: 81827-56-7
CAS Name: (E)-3-[3-(hydroxymethyl)-4-methoxy-6-oxo-5-[[(2Z,4E)-1-oxohexa-2,4-dienoxy]methyl]-2-pyranyl]-2-propenoic acid
OPENEYE Name: (E)-3-[5-[[(2Z,4E)-hexa-2,4-dienoyl]oxymethyl]-3-(hydroxymethyl)-4-methoxy-6-oxo-pyran-2-yl]prop-2-enoic acid
IUPAC Name: (E)-3-[5-[[(2Z,4E)-hexa-2,4-dienoyl]oxymethyl]-3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[5-[[(2Z,4E)-hexa-2,4-dienoyl]oxymethyl]-3-(hydroxymethyl)-4-methoxy-6-oxidanylidene-pyran-2-yl]prop-2-enoic acid
MOLECULAR FORMULA: C17H18O8
MOLECULAR WEIGHT: 350.32002
SMILES: C/C=C/C=C\C(=O)OCC1=C(C(=C(OC1=O)/C=C/C(=O)O)CO)OC
Structure:
CAS RN: 103545-91-1
CAS Name: (E)-2-butenedioic acid; 5-[3-(2-methoxyphenoxy)propylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
OPENEYE Name: fumaric acid; 2-isopropyl-5-[3-(2-methoxyphenoxy)propylamino]-2-(3,4,5-trimethoxyphenyl)pentanenitrile
IUPAC Name: (E)-but-2-enedioic acid; 5-[3-(2-methoxyphenoxy)propylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 5-[3-(2-methoxyphenoxy)propylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
MOLECULAR FORMULA: C31H42N2O9
MOLECULAR WEIGHT: 586.67318
SMILES: CC(C)C(CCCNCCCOC1=CC=CC=C1OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC.C(=C/C(=O)O)\C(=O)O
Structure:
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