CAS RN: 119074-43-0
CAS Name: (Z)-4-(ethylamino)-4-oxo-2-butenoic acid methyl ester
OPENEYE Name: methyl (Z)-4-(ethylamino)-4-oxo-but-2-enoate
IUPAC Name: methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate
SYSTEMATIC NAME: methyl (Z)-4-(ethylamino)-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C7H11NO3
MOLECULAR WEIGHT: 157.16714
SMILES: CCNC(=O)/C=C\C(=O)OC
Structure:
CAS RN: 119060-90-1
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-propenamide
OPENEYE Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-prop-2-enamide
IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-prop-2-enamide
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 118855-02-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H44O14
MOLECULAR WEIGHT: 664.69406
SMILES: C/C=C(\C)/C(=O)O[C@@H]1C[C@@H]([C@]2([C@@H]3[C@@]1(CO[C@H]3[C@H]([C@@]([C@@H]2[C@@H](C(=O)OC)O)(C)[C@@]45[C@H]6C[C@@H]([C@@]4(O5)C)[C@]7(C=CO[C@H]7O6)O)O)C(=O)OC)C)O
Structure:
CAS RN: 118745-19-0
CAS Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6S,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-2-met
OPENEYE Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,1R)-3-[(2S,2'R,4R,4aS,6S,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-a
IUPAC Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6S,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-h
SYSTEMATIC NAME: (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6S,8aR)-2-[(1S,3S)-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]
MOLECULAR FORMULA: C60H98O14
MOLECULAR WEIGHT: 1043.41172
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@H](O[C@@]12C=C(C[C@H](O2)[C@H](C)/C=C/[C@H]3CC[C@@]4(O3)CC[C@@H]5[C@@H](O4)[C@@H](C(=C)[C@H](O5)[C@H](C[C@H](C)[C@@H]6[C@@H](CC[C@@]7(O6)CCCCO7)C)O)O)C)C[C@](C)(C(=O)O)O
Structure:
CAS RN: 913609-50-4
CAS Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6S,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-2-met
OPENEYE Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,1R)-3-[(2S,2'R,4R,4aS,6S,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-a
IUPAC Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6S,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-h
SYSTEMATIC NAME: (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6S,8aR)-2-[(1S,3S)-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]
MOLECULAR FORMULA: C60H98O14
MOLECULAR WEIGHT: 1043.41172
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@H](O[C@@]12C=C(C[C@H](O2)[C@H](C)/C=C/[C@H]3CC[C@@]4(O3)CC[C@@H]5[C@@H](O4)[C@@H](C(=C)[C@H](O5)[C@H](C[C@H](C)[C@@H]6[C@@H](CC[C@@]7(O6)CCCCO7)C)O)O)C)C[C@](C)(C(=O)O)O
Structure:
CAS RN: 118628-94-7
CAS Name: (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-(1-methylethenyl)-1-cyclotetradeca-3,7,11-trienone
OPENEYE Name: (3Z,7Z,11E,14S)-14-isopropenyl-3,7,11-trimethyl-cyclotetradeca-3,7,11-trien-1-one
IUPAC Name: (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one
SYSTEMATIC NAME: (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-yl-cyclotetradeca-3,7,11-trien-1-one
MOLECULAR FORMULA: C20H30O
MOLECULAR WEIGHT: 286.4516
SMILES: C/C/1=C/CC/C(=C/C[C@H](C(=O)C/C(=C\CC1)/C)C(=C)C)/C
Structure:
CAS RN: 118607-64-0
CAS Name: 2-[(1R,3E,7Z,11Z)-4,8,12-trimethyl-1-cyclotetradeca-3,7,11-trienyl]-2-propenal
OPENEYE Name: 2-[(1R,3E,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-enal
IUPAC Name: 2-[(1R,3E,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-enal
SYSTEMATIC NAME: 2-[(1R,3E,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-enal
MOLECULAR FORMULA: C20H30O
MOLECULAR WEIGHT: 286.4516
SMILES: C/C/1=C/CC/C(=C/C[C@@H](CC/C(=C\CC1)/C)C(=C)C=O)/C
Structure:
CAS RN: 118583-95-2
CAS Name: (4Z,8E)-4,8,14-trimethyl-11-(1-methylethenyl)-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-12-one
OPENEYE Name: (4Z,8E)-11-isopropenyl-4,8,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-12-one
IUPAC Name: (4Z,8E)-4,8,14-trimethyl-11-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-12-one
SYSTEMATIC NAME: (4Z,8E)-4,8,14-trimethyl-11-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-12-one
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C/C/1=C/CC/C(=C/CC(C(=O)CC2(C(O2)CC1)C)C(=C)C)/C
Structure:
CAS RN: 118583-94-1
CAS Name: 2-[(1R,3Z,7Z,11Z)-4,8,12-trimethyl-1-cyclotetradeca-3,7,11-trienyl]-2-propenoic acid
OPENEYE Name: 2-[(1R,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-enoic acid
IUPAC Name: 2-[(1R,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-enoic acid
SYSTEMATIC NAME: 2-[(1R,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-enoic acid
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C/C/1=C/CC/C(=C\C[C@@H](CC/C(=C\CC1)/C)C(=C)C(=O)O)/C
Structure:
CAS RN: 118583-93-0
CAS Name: 2-[(1R,3Z,7Z,11Z)-4,8,12-trimethyl-1-cyclotetradeca-3,7,11-trienyl]-2-propen-1-ol
OPENEYE Name: 2-[(1R,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
IUPAC Name: 2-[(1R,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
SYSTEMATIC NAME: 2-[(1R,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
MOLECULAR FORMULA: C20H32O
MOLECULAR WEIGHT: 288.46748
SMILES: C/C/1=C/CC/C(=C\C[C@@H](CC/C(=C\CC1)/C)C(=C)CO)/C
Structure:
CAS RN: 118413-13-1
CAS Name: 3-(2,2-dichloroethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester; phosphoric acid [(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] diethyl ester
OPENEYE Name: [(E)-2-bromo-1-(2,4-dichlorophenyl)vinyl] diethyl phosphate; [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate; [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(E)-2-bromanyl-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate; [cyano-(3-phenoxyphenyl)methyl] 3-[2,2-bis(chloranyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C34H33BrCl4NO7P
MOLECULAR WEIGHT: 820.318081
SMILES: CCOP(=O)(OCC)O/C(=C/Br)/C1=C(C=C(C=C1)Cl)Cl.CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
Structure:
CAS RN: 118413-12-0
CAS Name: (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester; phosphoric acid [(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] diethyl ester
OPENEYE Name: [(E)-2-bromo-1-(2,4-dichlorophenyl)vinyl] diethyl phosphate; [(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate; [(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(E)-2-bromanyl-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate; [(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-[2,2-bis(bromanyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C34H33Br3Cl2NO7P
MOLECULAR WEIGHT: 909.220081
SMILES: CCOP(=O)(OCC)O/C(=C/Br)/C1=C(C=C(C=C1)Cl)Cl.CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
Structure:
CAS RN: 118258-27-8
CAS Name: (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester; phosphoric acid dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] ester
OPENEYE Name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1S,3S)-3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylate; dimethyl [(E)-1-methyl-3-(methylamino)-3-oxo-prop-1-enyl] phosphate
IUPAC Name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate; dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate
SYSTEMATIC NAME: [(S)-cyano-(3-phenoxyphenyl)methyl] (1S,3S)-3-[2,2-bis(chloranyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate; dimethyl [(E)-4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] phosphate
MOLECULAR FORMULA: C29H33Cl2N2O8P
MOLECULAR WEIGHT: 639.460681
SMILES: C/C(=C\C(=O)NC)/OP(=O)(OC)OC.CC1([C@@H]([C@@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
Structure:
CAS RN: 118204-12-9
CAS Name: (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-1-hexapentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54-tetradecaenol
OPENEYE Name: (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54-tetradecaen-1-ol
IUPAC Name: (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54-tetradecaen-1-ol
SYSTEMATIC NAME: (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54-tetradecaen-1-ol
MOLECULAR FORMULA: C70H114O
MOLECULAR WEIGHT: 971.65356
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
Structure:
CAS RN: 118169-30-5
CAS Name: (3Z,11Z)-2,13-dihydroxy-8-methyl-9,15-dioxabicyclo[12.1.0]pentadeca-3,11-dien-10-one
OPENEYE Name: (3Z,11Z)-2,13-dihydroxy-8-methyl-9,15-dioxabicyclo[12.1.0]pentadeca-3,11-dien-10-one
IUPAC Name: (3Z,11Z)-2,13-dihydroxy-8-methyl-9,15-dioxabicyclo[12.1.0]pentadeca-3,11-dien-10-one
SYSTEMATIC NAME: (3Z,11Z)-8-methyl-2,13-bis(oxidanyl)-9,15-dioxabicyclo[12.1.0]pentadeca-3,11-dien-10-one
MOLECULAR FORMULA: C14H20O5
MOLECULAR WEIGHT: 268.3056
SMILES: CC1CCC/C=C\C(C2C(O2)C(/C=C\C(=O)O1)O)O
Structure:
CAS RN: 118035-05-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H38O4
MOLECULAR WEIGHT: 390.55612
SMILES: CCCC(=O)OC1(CC/C=C(\CC2C3C(C1O2)C(CC(C3=C)O)C(C)C)/C)C
Structure:
CAS RN: 118001-04-0
CAS Name: 2-methyl-2-propenoic acid 2-[N-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]ethyl ester
OPENEYE Name: 2-[N-methyl-4-[(E)-2-(4-nitrophenyl)vinyl]anilino]ethyl 2-methylprop-2-enoate
IUPAC Name: 2-[N-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-[methyl-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]amino]ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: CC(=C)C(=O)OCCN(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 117710-99-3
CAS Name: (Z)-1,1,1-trifluoro-4-methyl-3-dodecen-2-one
OPENEYE Name: (Z)-1,1,1-trifluoro-4-methyl-dodec-3-en-2-one
IUPAC Name: (Z)-1,1,1-trifluoro-4-methyldodec-3-en-2-one
SYSTEMATIC NAME: (Z)-1,1,1-tris(fluoranyl)-4-methyl-dodec-3-en-2-one
MOLECULAR FORMULA: C13H21F3O
MOLECULAR WEIGHT: 250.30045
SMILES: CCCCCCCC/C(=C\C(=O)C(F)(F)F)/C
Structure:
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