CAS RN: 61931-81-5
CAS Name: 2-hydroxypropanoic acid [(Z)-hex-3-enyl] ester
OPENEYE Name: [(Z)-hex-3-enyl] 2-hydroxypropanoate
IUPAC Name: [(Z)-hex-3-enyl] 2-hydroxypropanoate
SYSTEMATIC NAME: [(Z)-hex-3-enyl] 2-oxidanylpropanoate
MOLECULAR FORMULA: C9H16O3
MOLECULAR WEIGHT: 172.22154
SMILES: CC/C=C\CCOC(=O)C(C)O
Structure:
CAS RN: 70220-06-3
CAS Name: (Z)-1-methoxy-3-hexene
OPENEYE Name: (Z)-1-methoxyhex-3-ene
IUPAC Name: (Z)-1-methoxyhex-3-ene
SYSTEMATIC NAME: (Z)-1-methoxyhex-3-ene
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC/C=C\CCOC
Structure:
CAS RN: 1404-64-4
CAS Name: (E)-N-[1-hydroxy-3-[(methylthio)methylsulfinyl]propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-2-propenamide
OPENEYE Name: (E)-N-[1-(hydroxymethyl)-2-(methylsulfanylmethylsulfinyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
IUPAC Name: (E)-N-[1-hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N-[1-(methylsulfanylmethylsulfinyl)-3-oxidanyl-propan-2-yl]prop-2-enamide
MOLECULAR FORMULA: C13H19N3O5S2
MOLECULAR WEIGHT: 361.43706
SMILES: CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)NC(CO)CS(=O)CSC
Structure:
CAS RN: 54696-41-2
CAS Name: 2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl-methylamino]acetic acid
OPENEYE Name: 2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-methyl-amino]acetic acid
IUPAC Name: 2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-methylamino]acetic acid
SYSTEMATIC NAME: 2-[methyl-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]amino]ethanoic acid
MOLECULAR FORMULA: C14H15NO5
MOLECULAR WEIGHT: 277.2726
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2CN(C)CC(=O)O)O
Structure:
CAS RN: 111-72-8
CAS Name: (E)-N,N'-dimethyl-2-butene-1,4-diamine
OPENEYE Name: (E)-N,N'-dimethylbut-2-ene-1,4-diamine
IUPAC Name: (E)-N,N'-dimethylbut-2-ene-1,4-diamine
SYSTEMATIC NAME: (E)-N,N'-dimethylbut-2-ene-1,4-diamine
MOLECULAR FORMULA: C6H14N2
MOLECULAR WEIGHT: 114.18876
SMILES: CNC/C=C/CNC
Structure:
CAS RN: 18166-64-8
CAS Name: (E)-3-(4-chlorophenyl)-2-propenamide
OPENEYE Name: (E)-3-(4-chlorophenyl)prop-2-enamide
IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(4-chlorophenyl)prop-2-enamide
MOLECULAR FORMULA: C9H8ClNO
MOLECULAR WEIGHT: 181.61892
SMILES: C1=CC(=CC=C1/C=C/C(=O)N)Cl
Structure:
CAS RN: 557-24-4
CAS Name: (E)-4-amino-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-amino-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-amino-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-azanyl-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C4H5NO3
MOLECULAR WEIGHT: 115.0874
SMILES: C(=C/C(=O)O)\C(=O)N
Structure:
CAS RN: 3737-95-9
CAS Name: 3-hydroxy-4-[2-(2-oxo-4-sulfo-1-naphthalenylidene)hydrazinyl]-2-naphthalenecarboxylic acid
OPENEYE Name: 3-hydroxy-4-[2-(2-oxo-4-sulfo-1-naphthylidene)hydrazino]naphthalene-2-carboxylic acid
IUPAC Name: 3-hydroxy-4-[2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid
SYSTEMATIC NAME: 3-oxidanyl-4-[2-(2-oxidanylidene-4-sulfo-naphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C21H14N2O7S
MOLECULAR WEIGHT: 438.41006
SMILES: C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O
Structure:
CAS RN: 91441-48-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25N5O4
MOLECULAR WEIGHT: 411.4543
SMILES: CNCCNC1=C2C3=C(C=C1)N(NC3=C4C(=O)C=CC(=O)C4=C2O)CCNCCO
Structure:
CAS RN: 2580-71-4
CAS Name: (1Z,4Z)-butanedial oxime
OPENEYE Name: (1Z,4Z)-butanedial oxime
IUPAC Name: (NZ)-N-[(4Z)-4-hydroxyiminobutylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(4Z)-4-hydroxyiminobutylidene]hydroxylamine
MOLECULAR FORMULA: C4H8N2O2
MOLECULAR WEIGHT: 116.11852
SMILES: C(/C=N\O)C/C=N\O
Structure:
CAS RN: 57966-95-7
CAS Name: (2E)-2-cyano-N-(ethylcarbamoyl)-2-methoxyiminoacetamide
OPENEYE Name: (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxo-acetimidoyl cyanide
IUPAC Name: (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
SYSTEMATIC NAME: (2E)-2-cyano-N-(ethylcarbamoyl)-2-methoxyimino-ethanamide
MOLECULAR FORMULA: C7H10N4O3
MOLECULAR WEIGHT: 198.1793
SMILES: CCNC(=O)NC(=O)/C(=N/OC)/C#N
Structure:
CAS RN: 93195-85-8
CAS Name: (2E)-2-cyano-N-(ethylcarbamoyl)-2-methoxyiminoacetamide
OPENEYE Name: (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxo-acetimidoyl cyanide
IUPAC Name: (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
SYSTEMATIC NAME: (2E)-2-cyano-N-(ethylcarbamoyl)-2-methoxyimino-ethanamide
MOLECULAR FORMULA: C7H10N4O3
MOLECULAR WEIGHT: 198.1793
SMILES: CCNC(=O)NC(=O)/C(=N/OC)/C#N
Structure:
CAS RN: 13304-29-5
CAS Name: N-[(E)-diethylaminoazo]-N-ethylethanamine
OPENEYE Name: N-[(E)-diethylaminoazo]-N-ethyl-ethanamine
IUPAC Name: N-[(E)-diethylaminodiazenyl]-N-ethylethanamine
SYSTEMATIC NAME: N-[(E)-diethylaminodiazenyl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C8H20N4
MOLECULAR WEIGHT: 172.2712
SMILES: CCN(CC)/N=N/N(CC)CC
Structure:
CAS RN: 99163-25-4
CAS Name: 1-(4-hexoxyphenyl)-N-[(Z)-(4-hexoxyphenyl)methylideneamino]methanimine
OPENEYE Name: 1-(4-hexoxyphenyl)-N-[(Z)-(4-hexoxyphenyl)methyleneamino]methanimine
IUPAC Name: 1-(4-hexoxyphenyl)-N-[(Z)-(4-hexoxyphenyl)methylideneamino]methanimine
SYSTEMATIC NAME: 1-(4-hexoxyphenyl)-N-[(Z)-(4-hexoxyphenyl)methylideneamino]methanimine
MOLECULAR FORMULA: C26H36N2O2
MOLECULAR WEIGHT: 408.57624
SMILES: CCCCCCOC1=CC=C(C=C1)/C=N\N=C/C2=CC=C(C=C2)OCCCCCC
Structure:
CAS RN: 11031-85-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H51NO15
MOLECULAR WEIGHT: 785.83064
SMILES: CC1C(C(C(C(C(C(/C=C(/C2=C3C4=C(C(=C(C(=O)C4=C(C(=C3OCO2)C)O)NC(=O)/C(=C/C=C\C(C1O)(C)O)/C)C)OC(=O)C)\C)(C)O)O)C)O)C(=O)OC)O
Structure:
CAS RN: 13395-16-9
CAS Name: copper; (Z)-4-hydroxy-3-penten-2-one
OPENEYE Name: copper; (Z)-4-hydroxypent-3-en-2-one
IUPAC Name: copper; (Z)-4-hydroxypent-3-en-2-one
SYSTEMATIC NAME: copper; (Z)-4-oxidanylpent-3-en-2-one
MOLECULAR FORMULA: C10H16CuO4
MOLECULAR WEIGHT: 263.77764
SMILES: C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Cu]
Structure:
CAS RN: 27185-77-9
CAS Name: 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone
OPENEYE Name: 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
IUPAC Name: 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
SYSTEMATIC NAME: 2,4,4-trimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC1=C(C(CCC1=O)(C)C)/C=C/C(=O)C
Structure:
CAS RN: 29790-29-2
CAS Name: 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone
OPENEYE Name: 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
IUPAC Name: 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
SYSTEMATIC NAME: 2,4,4-trimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC1=C(C(CCC1=O)(C)C)/C=C/C(=O)C
Structure:
CAS RN: 7291-30-7
CAS Name: (Z)-5,5,5-trifluoro-4-hydroxy-3-penten-2-one
OPENEYE Name: (Z)-5,5,5-trifluoro-4-hydroxy-pent-3-en-2-one
IUPAC Name: (Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
SYSTEMATIC NAME: (Z)-5,5,5-tris(fluoranyl)-4-oxidanyl-pent-3-en-2-one
MOLECULAR FORMULA: C5H5F3O2
MOLECULAR WEIGHT: 154.08721
SMILES: CC(=O)/C=C(/C(F)(F)F)\O
Structure:
CAS RN: 32997-15-2
CAS Name: (4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-5-oxazolone
OPENEYE Name: (4Z)-4-[(2-chlorophenyl)methylene]-2-methyl-oxazol-5-one
IUPAC Name: (4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C11H8ClNO2
MOLECULAR WEIGHT: 221.63972
SMILES: CC1=N/C(=C\C2=CC=CC=C2Cl)/C(=O)O1
Structure:
CAS RN: 211241-68-8
CAS Name: (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-ol
OPENEYE Name: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
IUPAC Name: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
SYSTEMATIC NAME: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: CC1=CCCC(C1/C=C/C(C)O)(C)C
Structure:
CAS RN: 25312-34-9
CAS Name: (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-ol
OPENEYE Name: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
IUPAC Name: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
SYSTEMATIC NAME: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: CC1=CCCC(C1/C=C/C(C)O)(C)C
Structure:
CAS RN: 472-78-6
CAS Name: (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-ol
OPENEYE Name: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
IUPAC Name: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
SYSTEMATIC NAME: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: CC1=CCCC(C1/C=C/C(C)O)(C)C
Structure:
CAS RN: 20766-40-9
CAS Name: (E)-4-(2-nitrophenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(2-nitrophenyl)but-3-en-2-one
IUPAC Name: (E)-4-(2-nitrophenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(2-nitrophenyl)but-3-en-2-one
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: CC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 79-76-5
CAS Name: (E)-4-(2,2-dimethyl-6-methylenecyclohexyl)-3-buten-2-one
OPENEYE Name: (E)-4-(2,2-dimethyl-6-methylene-cyclohexyl)but-3-en-2-one
IUPAC Name: (E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(2,2-dimethyl-6-methylidene-cyclohexyl)but-3-en-2-one
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: CC(=O)/C=C/C1C(=C)CCCC1(C)C
Structure:
CAS RN: 617-32-3
CAS Name: (3E)-3-methoxyimino-2-butanone
OPENEYE Name: (3E)-3-methoxyiminobutan-2-one
IUPAC Name: (3E)-3-methoxyiminobutan-2-one
SYSTEMATIC NAME: (3E)-3-methoxyiminobutan-2-one
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C/C(=N\OC)/C(=O)C
Structure:
CAS RN: 22319-25-1
CAS Name: (E)-4-methyl-3-hepten-2-one
OPENEYE Name: (E)-4-methylhept-3-en-2-one
IUPAC Name: (E)-4-methylhept-3-en-2-one
SYSTEMATIC NAME: (E)-4-methylhept-3-en-2-one
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CCC/C(=C/C(=O)C)/C
Structure:
CAS RN: 80192-56-9
CAS Name: (2E)-2,4-dimethyl-1-hepta-2,6-dienol
OPENEYE Name: (2E)-2,4-dimethylhepta-2,6-dien-1-ol
IUPAC Name: (2E)-2,4-dimethylhepta-2,6-dien-1-ol
SYSTEMATIC NAME: (2E)-2,4-dimethylhepta-2,6-dien-1-ol
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CC(CC=C)/C=C(\C)/CO
Structure:
CAS RN: 4743-82-2
CAS Name: (E)-4-oxo-2-pentenoic acid
OPENEYE Name: (E)-4-oxopent-2-enoic acid
IUPAC Name: (E)-4-oxopent-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidenepent-2-enoic acid
MOLECULAR FORMULA: C5H6O3
MOLECULAR WEIGHT: 114.09934
SMILES: CC(=O)/C=C/C(=O)O
Structure:
CAS RN: 4436-75-3
CAS Name: (E)-3-hexene-2,5-dione
OPENEYE Name: (E)-hex-3-ene-2,5-dione
IUPAC Name: (E)-hex-3-ene-2,5-dione
SYSTEMATIC NAME: (E)-hex-3-ene-2,5-dione
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: CC(=O)/C=C/C(=O)C
Structure:
CAS RN: 820-69-9
CAS Name: (E)-3-hexene-2,5-dione
OPENEYE Name: (E)-hex-3-ene-2,5-dione
IUPAC Name: (E)-hex-3-ene-2,5-dione
SYSTEMATIC NAME: (E)-hex-3-ene-2,5-dione
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: CC(=O)/C=C/C(=O)C
Structure:
CAS RN: 54863-80-8
CAS Name: (Z)-14-nonacosene
OPENEYE Name: (Z)-nonacos-14-ene
IUPAC Name: (Z)-nonacos-14-ene
SYSTEMATIC NAME: (Z)-nonacos-14-ene
MOLECULAR FORMULA: C29H58
MOLECULAR WEIGHT: 406.77082
SMILES: CCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCC
Structure:
CAS RN: 43142-43-4
CAS Name: (3E,5E)-2-nona-3,5-dien-7-ynol
OPENEYE Name: (3E,5E)-nona-3,5-dien-7-yn-2-ol
IUPAC Name: (3E,5E)-nona-3,5-dien-7-yn-2-ol
SYSTEMATIC NAME: (3E,5E)-nona-3,5-dien-7-yn-2-ol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC#C/C=C/C=C/C(C)O
Structure:
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