CAS RN: 40811-59-4
CAS Name: 2,3-bis[(9Z,12Z,15Z)-1-oxooctadeca-9,12,15-trienoxy]propyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: 2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: 2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: 2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H76NO8P
MOLECULAR WEIGHT: 778.049901
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Structure:
CAS RN: 40581-18-8
CAS Name: (2Z,3Z)-2,3-bis[(4-methoxyphenyl)methylidene]butanedinitrile
OPENEYE Name: (2Z,3Z)-2,3-bis[(4-methoxyphenyl)methylene]butanedinitrile
IUPAC Name: (2Z,3Z)-2,3-bis[(4-methoxyphenyl)methylidene]butanedinitrile
SYSTEMATIC NAME: (2Z,3Z)-2,3-bis[(4-methoxyphenyl)methylidene]butanedinitrile
MOLECULAR FORMULA: C20H16N2O2
MOLECULAR WEIGHT: 316.35324
SMILES: COC1=CC=C(C=C1)/C=C(/C(=C/C2=CC=C(C=C2)OC)/C#N)\C#N
Structure:
CAS RN: 40158-95-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23NO6
MOLECULAR WEIGHT: 349.37832
SMILES: C/C=C\1/CC2([C@@](O2)(C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC1=O)C)CO
Structure:
CAS RN: 39144-74-6
CAS Name: (Z)-3-methyl-5-(4-phenoxyphenyl)-2-pentenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-3-methyl-5-(4-phenoxyphenyl)pent-2-enoate
IUPAC Name: ethyl (Z)-3-methyl-5-(4-phenoxyphenyl)pent-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-methyl-5-(4-phenoxyphenyl)pent-2-enoate
MOLECULAR FORMULA: C20H22O3
MOLECULAR WEIGHT: 310.38688
SMILES: CCOC(=O)/C=C(/C)\CCC1=CC=C(C=C1)OC2=CC=CC=C2
Structure:
CAS RN: 39111-07-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H46O4
MOLECULAR WEIGHT: 470.68384
SMILES: CC(CC/C=C(/C)\C(=O)O)C1C2(C13CCC4(CCC(C4(C3CCC2)CCC(=O)O)C(=C)C)C)C
Structure:
CAS RN: 38881-95-7
CAS Name: (1E,3Z)-4-hydrazinyl-2-methyl-1-penta-1,3-dienesulfonic acid
OPENEYE Name: (1E,3Z)-4-hydrazino-2-methyl-penta-1,3-diene-1-sulfonic acid
IUPAC Name: (1E,3Z)-4-hydrazinyl-2-methylpenta-1,3-diene-1-sulfonic acid
SYSTEMATIC NAME: (1E,3Z)-4-diazanyl-2-methyl-penta-1,3-diene-1-sulfonic acid
MOLECULAR FORMULA: C6H12N2O3S
MOLECULAR WEIGHT: 192.23608
SMILES: C/C(=C/C(=C/S(=O)(=O)O)/C)/NN
Structure:
CAS RN: 38725-49-4
CAS Name: (3E)-trideca-1,3-diene
OPENEYE Name: (3E)-trideca-1,3-diene
IUPAC Name: (3E)-trideca-1,3-diene
SYSTEMATIC NAME: (3E)-trideca-1,3-diene
MOLECULAR FORMULA: C13H24
MOLECULAR WEIGHT: 180.32966
SMILES: CCCCCCCCC/C=C/C=C
Structure:
CAS RN: 38710-26-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23NO6
MOLECULAR WEIGHT: 349.37832
SMILES: C/C=C/1\CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O
Structure:
CAS RN: 38489-67-7
CAS Name: (E)-3-(2,5-dihydroxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2,5-bis(oxidanyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: C1=CC(=C(C=C1O)/C=C/C(=O)O)O
Structure:
CAS RN: 38230-32-9
CAS Name: (6Z,10S)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione
OPENEYE Name: (6Z,10S)-3-isopropylidene-6,10-dimethyl-cyclodec-6-ene-1,4-dione
IUPAC Name: (6Z,10S)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione
SYSTEMATIC NAME: (6Z,10S)-6,10-dimethyl-3-propan-2-ylidene-cyclodec-6-ene-1,4-dione
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: C[C@H]1CC/C=C(\CC(=O)C(=C(C)C)CC1=O)/C
Structure:
CAS RN: 38136-69-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H23N3O3
MOLECULAR WEIGHT: 365.42562
SMILES: CC(C)[C@@H]1C[C@@]2(C(=O)N3C1(CCC3)C(=O)N2)/C=C/4\C(=O)C5=CC=CC=C5N4
Structure:
CAS RN: 38114-47-5
CAS Name: (Z)-2-methyl-2-butenoic acid [(3aR,4S,6S,6aS,9aS,9bS)-3-acetyloxy-6-hydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [(3aR,4S,6S,6aS,9aS,9bS)-3-acetoxy-6-hydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(3aR,4S,6S,6aS,9aS,9bS)-3-acetyloxy-6-hydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(3aR,4S,6S,6aS,9aS,9bS)-3-acetyloxy-3,6,9-trimethyl-6-oxidanyl-2-oxidanylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C22H30O7
MOLECULAR WEIGHT: 406.4694
SMILES: C/C=C(/C)\C(=O)O[C@H]1C[C@]([C@H]2CC=C([C@H]2[C@H]3[C@@H]1C(C(=O)O3)(C)OC(=O)C)C)(C)O
Structure:
CAS RN: 37822-83-6
CAS Name: (E)-1-hexadecen-1-ol
OPENEYE Name: (E)-hexadec-1-en-1-ol
IUPAC Name: (E)-hexadec-1-en-1-ol
SYSTEMATIC NAME: (E)-hexadec-1-en-1-ol
MOLECULAR FORMULA: C16H32O
MOLECULAR WEIGHT: 240.42468
SMILES: CCCCCCCCCCCCCC/C=C/O
Structure:
CAS RN: 37443-67-7
CAS Name: (E)-2-decenedioic acid
OPENEYE Name: (E)-dec-2-enedioic acid
IUPAC Name: (E)-dec-2-enedioic acid
SYSTEMATIC NAME: (E)-dec-2-enedioic acid
MOLECULAR FORMULA: C10H16O4
MOLECULAR WEIGHT: 200.23164
SMILES: C(CCCC(=O)O)CC/C=C/C(=O)O
Structure:
CAS RN: 36752-54-2
CAS Name: (E)-1-(4-hydroxy-3-methoxyphenyl)-4-tetradecen-3-one
OPENEYE Name: (E)-1-(4-hydroxy-3-methoxy-phenyl)tetradec-4-en-3-one
IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one
SYSTEMATIC NAME: (E)-1-(3-methoxy-4-oxidanyl-phenyl)tetradec-4-en-3-one
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: CCCCCCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 36199-53-8
CAS Name: (E)-2-butenedioic acid; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
OPENEYE Name: fumaric acid; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
IUPAC Name: (E)-but-2-enedioic acid; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C13H17NO7
MOLECULAR WEIGHT: 299.27658
SMILES: CNC[C@@H](C1=CC(=C(C=C1)O)O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 36199-55-0
CAS Name: (E)-2-butenedioic acid; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
OPENEYE Name: fumaric acid; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
IUPAC Name: (E)-but-2-enedioic acid; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C13H17NO7
MOLECULAR WEIGHT: 299.27658
SMILES: CNC[C@@H](C1=CC(=C(C=C1)O)O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 145963-73-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H16O6
MOLECULAR WEIGHT: 292.28394
SMILES: C/C/1=C\C2C(=C(C(=O)O2)C)C3C4C(O4)(CCC1O)C(=O)O3
Structure:
CAS RN: 142928-28-7
CAS Name: (2R,3R,4S,5S,6R)-2-[(3E,11E)-1,13-dihydroxytrideca-3,11-dien-5,7,9-triyn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2E,10E)-12-hydroxy-1-(hydroxymethyl)dodeca-2,10-dien-4,6,8-triynoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(3E,11E)-1,13-dihydroxytrideca-3,11-dien-5,7,9-triyn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(3E,11E)-1,13-bis(oxidanyl)trideca-3,11-dien-5,7,9-triyn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C19H22O8
MOLECULAR WEIGHT: 378.37318
SMILES: C(/C=C/C#CC#CC#C/C=C/C(CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Structure:
CAS RN: 136346-21-9
CAS Name: 5-[[(Z)-1,2-dichloroethenyl]thio]pentanoic acid
OPENEYE Name: 5-[(Z)-1,2-dichlorovinyl]sulfanylpentanoic acid
IUPAC Name: 5-[(Z)-1,2-dichloroethenyl]sulfanylpentanoic acid
SYSTEMATIC NAME: 5-[(Z)-1,2-bis(chloranyl)ethenyl]sulfanylpentanoic acid
MOLECULAR FORMULA: C7H10Cl2O2S
MOLECULAR WEIGHT: 229.1241
SMILES: C(CCS/C(=C/Cl)/Cl)CC(=O)O
Structure:
CAS RN: 117425-95-3
CAS Name: (Z)-4-hydroxy-3-pentenoic acid
OPENEYE Name: (Z)-4-hydroxypent-3-enoic acid
IUPAC Name: (Z)-4-hydroxypent-3-enoic acid
SYSTEMATIC NAME: (Z)-4-oxidanylpent-3-enoic acid
MOLECULAR FORMULA: C5H8O3
MOLECULAR WEIGHT: 116.11522
SMILES: C/C(=C/CC(=O)O)/O
Structure:
CAS RN: 116026-83-6
CAS Name: N-[2-[4-(1,4-dioxaspiro[4.5]decan-10-ylmethyl)phenoxy]ethoxy]-1-propanimine
OPENEYE Name: N-[2-[4-(1,4-dioxaspiro[4.5]decan-10-ylmethyl)phenoxy]ethoxy]propan-1-imine
IUPAC Name: N-[2-[4-(1,4-dioxaspiro[4.5]decan-10-ylmethyl)phenoxy]ethoxy]propan-1-imine
SYSTEMATIC NAME: N-[2-[4-(1,4-dioxaspiro[4.5]decan-10-ylmethyl)phenoxy]ethoxy]propan-1-imine
MOLECULAR FORMULA: C20H29NO4
MOLECULAR WEIGHT: 347.44856
SMILES: CC/C=N\OCCOC1=CC=C(C=C1)CC2CCCCC23OCCO3
Structure:
CAS RN: 110935-52-9
CAS Name: (2R,3E,3aR,6aR)-2-hydroxy-6a-(hydroxymethyl)-3-prop-2-enylidene-3aH-cyclopenta[b]furan-4-one
OPENEYE Name: (2R,3E,3aR,6aR)-3-allylidene-2-hydroxy-6a-(hydroxymethyl)-3aH-cyclopenta[b]furan-4-one
IUPAC Name: (2R,3E,3aR,6aR)-2-hydroxy-6a-(hydroxymethyl)-3-prop-2-enylidene-3aH-cyclopenta[b]furan-4-one
SYSTEMATIC NAME: (2R,3E,3aR,6aR)-6a-(hydroxymethyl)-2-oxidanyl-3-prop-2-enylidene-3aH-cyclopenta[b]furan-4-one
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: C=C/C=C/1\[C@H]2C(=O)C=C[C@]2(O[C@H]1O)CO
Structure:
CAS RN: 105952-38-3
CAS Name: (2E,4E)-N-(3-methylbutan-2-yl)-6-phenylhexa-2,4-dienamide
OPENEYE Name: (2E,4E)-N-(1,2-dimethylpropyl)-6-phenyl-hexa-2,4-dienamide
IUPAC Name: (2E,4E)-N-(3-methylbutan-2-yl)-6-phenylhexa-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-(3-methylbutan-2-yl)-6-phenyl-hexa-2,4-dienamide
MOLECULAR FORMULA: C17H23NO
MOLECULAR WEIGHT: 257.37062
SMILES: CC(C)C(C)NC(=O)/C=C/C=C/CC1=CC=CC=C1
Structure:
CAS RN: 101899-44-9
CAS Name: (2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,3S,4S)-3-(carboxymethyl)-4-[(1Z,4E)-5-carboxy-1-methyl-hexa-1,4-dienyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S)-3-(2-hydroxy-2-oxoethyl)-4-[(2Z,5E)-6-methyl-7-oxidanyl-7-oxidanylidene-hepta-2,5-dien-2-yl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C15H21NO6
MOLECULAR WEIGHT: 311.33034
SMILES: C/C(=C/C/C=C(\C)/C(=O)O)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
Structure:
CAS RN: 101859-57-8
CAS Name: (1R,2S)-2-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]-1-cyclohexanol
OPENEYE Name: (1R,2S)-2-[(E)-4-benzyloxy-3-methyl-but-2-enyl]cyclohexanol
IUPAC Name: (1R,2S)-2-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]cyclohexan-1-ol
SYSTEMATIC NAME: (1R,2S)-2-[(E)-3-methyl-4-phenylmethoxy-but-2-enyl]cyclohexan-1-ol
MOLECULAR FORMULA: C18H26O2
MOLECULAR WEIGHT: 274.39784
SMILES: C/C(=C\C[C@@H]1CCCC[C@H]1O)/COCC2=CC=CC=C2
Structure:
CAS RN: 101859-56-7
CAS Name: 2,4-dichlorobenzoic acid [(E)-5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enyl] ester
OPENEYE Name: [(E)-5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enyl] 2,4-dichlorobenzoate
IUPAC Name: [(E)-5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enyl] 2,4-dichlorobenzoate
SYSTEMATIC NAME: [(E)-5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enyl] 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C31H30Cl4O3
MOLECULAR WEIGHT: 592.3801
SMILES: C1CC[C@H]([C@@H](C1)CC/C=C/COC(=O)C2=C(C=C(C=C2)Cl)Cl)OC(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
Structure:
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