CAS RN: 84873-14-3
CAS Name: (3S,9S,10R,13R,14R,17R)-17-[(Z,2R)-5-ethyl-6-methylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,9S,10R,13R,14R,17R)-17-[(Z,1R)-4-ethyl-1,5-dimethyl-hex-3-enyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(Z,2R)-5-ethyl-6-methylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,9S,10R,13R,14R,17R)-17-[(Z,2R)-5-ethyl-6-methyl-hept-4-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H46O
MOLECULAR WEIGHT: 410.67494
SMILES: CC/C(=C/C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)/C(C)C
Structure:
CAS RN: 84789-96-8
CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid; (Z)-9-octadecenoic acid
OPENEYE Name: (9Z,12Z)-octadeca-9,12-dienoic acid; (Z)-octadec-9-enoic acid
IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoic acid; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: (9Z,12Z)-octadeca-9,12-dienoic acid; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C36H66O4
MOLECULAR WEIGHT: 562.90684
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
Structure:
CAS RN: 21856-74-6
CAS Name: (2E,8E)-2,8-bis(phenylmethylene)-1-cyclooctanone
OPENEYE Name: (2E,8E)-2,8-dibenzylidenecyclooctanone
IUPAC Name: (2E,8E)-2,8-dibenzylidenecyclooctan-1-one
SYSTEMATIC NAME: (2E,8E)-2,8-bis(phenylmethylidene)cyclooctan-1-one
MOLECULAR FORMULA: C22H22O
MOLECULAR WEIGHT: 302.40948
SMILES: C1CC/C(=C\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/CC1
Structure:
CAS RN: 19902-04-6
CAS Name: 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol
OPENEYE Name: 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol
IUPAC Name: 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol
SYSTEMATIC NAME: 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol
MOLECULAR FORMULA: C22H39NO
MOLECULAR WEIGHT: 333.55116
SMILES: CC(=CCC/C(=C/CN(C/C=C(/CCC=C(C)C)\C)CCO)/C)C
Structure:
CAS RN: 56348-69-7
CAS Name: 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol
OPENEYE Name: 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol
IUPAC Name: 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol
SYSTEMATIC NAME: 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol
MOLECULAR FORMULA: C22H39NO
MOLECULAR WEIGHT: 333.55116
SMILES: CC(=CCC/C(=C/CN(C/C=C(/CCC=C(C)C)\C)CCO)/C)C
Structure:
CAS RN: 84408-51-5
CAS Name: (Z)-9-octadecenoic acid [3-[1,10-dioxo-10-(3-perylenyl)decoxy]-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-oxo-10-perylen-3-yl-decanoyl)oxy-propyl] (Z)-octadec-9-enoate
IUPAC Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-oxo-10-perylen-3-yldecanoyl)oxypropyl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-oxidanylidene-10-perylen-3-yl-decanoyl)oxy-propyl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C69H98O7
MOLECULAR WEIGHT: 1039.51222
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(=O)C1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5)OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 17705-63-4
CAS Name: phosphoric acid [(Z)-4-amino-4-oxobut-2-en-2-yl] dimethyl ester
OPENEYE Name: [(Z)-3-amino-1-methyl-3-oxo-prop-1-enyl] dimethyl phosphate
IUPAC Name: [(Z)-4-amino-4-oxobut-2-en-2-yl] dimethyl phosphate
SYSTEMATIC NAME: [(Z)-4-azanyl-4-oxidanylidene-but-2-en-2-yl] dimethyl phosphate
MOLECULAR FORMULA: C6H12NO5P
MOLECULAR WEIGHT: 209.136941
SMILES: C/C(=C/C(=O)N)/OP(=O)(OC)OC
Structure:
CAS RN: 16260-06-3
CAS Name: (3Z)-3-(2-chloro-10-oxo-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine
OPENEYE Name: (3Z)-3-(2-chloro-10-oxo-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine
IUPAC Name: (3Z)-3-(2-chloro-10-oxothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: (3Z)-3-(2-chloranyl-10-oxidanylidene-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C18H18ClNOS
MOLECULAR WEIGHT: 331.85962
SMILES: CN(C)CC/C=C\1/C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl
Structure:
CAS RN: 84164-55-6
CAS Name: (6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methyl-3-heptanone
OPENEYE Name: (6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methyl-heptan-3-one
IUPAC Name: (6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one
SYSTEMATIC NAME: (6R)-6-[(1R,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5S)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-2,4-bis(oxidanyl)heptan-3-one
MOLECULAR FORMULA: C27H42O4
MOLECULAR WEIGHT: 430.61998
SMILES: C[C@H](CC(C(=O)C(C)(C)O)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
Structure:
CAS RN: 84121-11-9
CAS Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E,4S)-4-amino-4-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid methyl ester
OPENEYE Name: methyl (Z)-7-[(1R,2R,3R,5S)-2-[(E,4S)-4-amino-4-hydroxy-oct-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoate
IUPAC Name: methyl (Z)-7-[(1R,2R,3R,5S)-2-[(E,4S)-4-amino-4-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
SYSTEMATIC NAME: methyl (Z)-7-[(1R,2R,3R,5S)-2-[(E,4S)-4-azanyl-4-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C21H37NO5
MOLECULAR WEIGHT: 383.52218
SMILES: CCCC[C@](C/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)O)O)(N)O
Structure:
CAS RN: 84070-69-9
CAS Name: 4-hydroxy-6-[2-[(4E)-4-[(2Z)-2-(5-hydroxy-2-methylenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-methyl-3-dioxanone
OPENEYE Name: 4-hydroxy-6-[2-[(4E)-4-[(2Z)-2-(5-hydroxy-2-methylene-cyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-methyl-dioxan-3-one
IUPAC Name: 4-hydroxy-6-[2-[(4E)-4-[(2Z)-2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-methyldioxan-3-one
SYSTEMATIC NAME: 6-[2-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidene-5-oxidanyl-cyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-methyl-4-oxidanyl-1,2-dioxan-3-one
MOLECULAR FORMULA: C27H40O5
MOLECULAR WEIGHT: 444.6035
SMILES: CC(CC1CC(C(=O)OO1)(C)O)C2CCC\3C2(CCC/C3=C\C=C/4\CC(CCC4=C)O)C
Structure:
CAS RN: 7432-30-6
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenoic acid methyl ester
OPENEYE Name: methyl (2Z,4E,6Z,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenoate
IUPAC Name: methyl (2Z,4E,6Z,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: methyl (2Z,4E,6Z,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: C/C(=C/C=C/C(=C\C(=O)OC)/C)/C=C/C12C(CCCC1(O2)C)(C)C
Structure:
CAS RN: 6991-16-8
CAS Name: 3-[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenylidene]pentane-2,4-dione
OPENEYE Name: 3-[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]pentane-2,4-dione
IUPAC Name: 3-[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]pentane-2,4-dione
SYSTEMATIC NAME: 3-[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]pentane-2,4-dione
MOLECULAR FORMULA: C25H34O2
MOLECULAR WEIGHT: 366.53626
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C\C(=C/C=C(C(=O)C)C(=O)C)\C)\C
Structure:
CAS RN: 2984-80-7
CAS Name: phosphoric acid [(E)-2-chloro-1-(2,4-dibromophenyl)ethenyl] dimethyl ester
OPENEYE Name: [(E)-2-chloro-1-(2,4-dibromophenyl)vinyl] dimethyl phosphate
IUPAC Name: [(E)-2-chloro-1-(2,4-dibromophenyl)ethenyl] dimethyl phosphate
SYSTEMATIC NAME: [(E)-1-[2,4-bis(bromanyl)phenyl]-2-chloranyl-ethenyl] dimethyl phosphate
MOLECULAR FORMULA: C10H10Br2ClO4P
MOLECULAR WEIGHT: 420.418761
SMILES: COP(=O)(OC)O/C(=C/Cl)/C1=C(C=C(C=C1)Br)Br
Structure:
CAS RN: 2274-69-3
CAS Name: phosphoric acid [(E)-2-chloro-1-(2,5-dichlorophenyl)ethenyl] dimethyl ester
OPENEYE Name: [(E)-2-chloro-1-(2,5-dichlorophenyl)vinyl] dimethyl phosphate
IUPAC Name: [(E)-2-chloro-1-(2,5-dichlorophenyl)ethenyl] dimethyl phosphate
SYSTEMATIC NAME: [(E)-1-[2,5-bis(chloranyl)phenyl]-2-chloranyl-ethenyl] dimethyl phosphate
MOLECULAR FORMULA: C10H10Cl3O4P
MOLECULAR WEIGHT: 331.516761
SMILES: COP(=O)(OC)O/C(=C/Cl)/C1=C(C=CC(=C1)Cl)Cl
Structure:
CAS RN: 3899-20-5
CAS Name: (2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid ethyl ester
OPENEYE Name: ethyl (2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
IUPAC Name: ethyl (2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: ethyl (2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C22H32O2
MOLECULAR WEIGHT: 328.48828
SMILES: CCOC(=O)/C=C(/C)\C=C\C=C(\C)/C=C\C1=C(CCCC1(C)C)C
Structure:
CAS RN: 60113-09-9
CAS Name: (Z,2R,3S,4R)-5-hexene-1,2,3,4,6-pentol
OPENEYE Name: (Z,2R,3S,4R)-hex-5-ene-1,2,3,4,6-pentol
IUPAC Name: (Z,2R,3S,4R)-hex-5-ene-1,2,3,4,6-pentol
SYSTEMATIC NAME: (Z,2R,3S,4R)-hex-5-ene-1,2,3,4,6-pentol
MOLECULAR FORMULA: C6H12O5
MOLECULAR WEIGHT: 164.15648
SMILES: C([C@H]([C@H]([C@@H](/C=C\O)O)O)O)O
Structure:
CAS RN: 55700-58-8
CAS Name: (3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
OPENEYE Name: (3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,3-diol
IUPAC Name: (3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
SYSTEMATIC NAME: (3S,6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5R)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,3-diol
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
Structure:
CAS RN: 83864-77-1
CAS Name: (E)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]-2-propenal
OPENEYE Name: (E)-3-[3-(4-allylphenoxy)-4,5-dihydroxy-phenyl]prop-2-enal
IUPAC Name: (E)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal
MOLECULAR FORMULA: C18H16O4
MOLECULAR WEIGHT: 296.31724
SMILES: C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)/C=C/C=O
Structure:
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