CAS RN: 49681-66-5
CAS Name: (E)-4-methyldioxy-4-oxo-2-butenoic acid tert-butyl ester
OPENEYE Name: tert-butyl (E)-4-methylperoxy-4-oxo-but-2-enoate
IUPAC Name: tert-butyl (E)-4-methylperoxy-4-oxobut-2-enoate
SYSTEMATIC NAME: tert-butyl (E)-4-methylperoxy-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CC(C)(C)OC(=O)/C=C/C(=O)OOC
Structure:
CAS RN: 4937-86-4
CAS Name: N-[(E)-1-nitroso-1-phenylprop-1-en-2-yl]hydroxylamine
OPENEYE Name: N-[(E)-1-methyl-2-nitroso-2-phenyl-vinyl]hydroxylamine
IUPAC Name: N-[(E)-1-nitroso-1-phenylprop-1-en-2-yl]hydroxylamine
SYSTEMATIC NAME: N-[(E)-1-nitroso-1-phenyl-prop-1-en-2-yl]hydroxylamine
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: C/C(=C(/C1=CC=CC=C1)\N=O)/NO
Structure:
CAS RN: 4842-93-7
CAS Name: (3E)-4-methylhexa-1,3-diene
OPENEYE Name: (3E)-4-methylhexa-1,3-diene
IUPAC Name: (3E)-4-methylhexa-1,3-diene
SYSTEMATIC NAME: (3E)-4-methylhexa-1,3-diene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC/C(=C/C=C)/C
Structure:
CAS RN: 32397-56-1
CAS Name: (E)-2-hepten-4-one
OPENEYE Name: (E)-hept-2-en-4-one
IUPAC Name: (E)-hept-2-en-4-one
SYSTEMATIC NAME: (E)-hept-2-en-4-one
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CCCC(=O)/C=C/C
Structure:
CAS RN: 4643-25-8
CAS Name: (E)-2-hepten-4-one
OPENEYE Name: (E)-hept-2-en-4-one
IUPAC Name: (E)-hept-2-en-4-one
SYSTEMATIC NAME: (E)-hept-2-en-4-one
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CCCC(=O)/C=C/C
Structure:
CAS RN: 4628-21-1
CAS Name: (Z)-1-chloro-2-butene
OPENEYE Name: (Z)-1-chlorobut-2-ene
IUPAC Name: (Z)-1-chlorobut-2-ene
SYSTEMATIC NAME: (Z)-1-chloranylbut-2-ene
MOLECULAR FORMULA: C4H7Cl
MOLECULAR WEIGHT: 90.55138
SMILES: C/C=C\CCl
Structure:
CAS RN: 4552-64-1
CAS Name: (Z)-1,1,1-trifluoro-4-mercapto-4-thiophen-2-yl-3-buten-2-one
OPENEYE Name: (Z)-1,1,1-trifluoro-4-sulfanyl-4-(2-thienyl)but-3-en-2-one
IUPAC Name: (Z)-1,1,1-trifluoro-4-sulfanyl-4-thiophen-2-ylbut-3-en-2-one
SYSTEMATIC NAME: (Z)-1,1,1-tris(fluoranyl)-4-sulfanyl-4-thiophen-2-yl-but-3-en-2-one
MOLECULAR FORMULA: C8H5F3OS2
MOLECULAR WEIGHT: 238.24991
SMILES: C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/S
Structure:
CAS RN: 4535-61-9
CAS Name: (Z)-5-hepten-2-one
OPENEYE Name: (Z)-hept-5-en-2-one
IUPAC Name: (Z)-hept-5-en-2-one
SYSTEMATIC NAME: (Z)-hept-5-en-2-one
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: C/C=C\CCC(=O)C
Structure:
CAS RN: 4525-25-1
CAS Name: (E)-4-hydroxy-4-methoxy-3-buten-2-one
OPENEYE Name: (E)-4-hydroxy-4-methoxy-but-3-en-2-one
IUPAC Name: (E)-4-hydroxy-4-methoxybut-3-en-2-one
SYSTEMATIC NAME: (E)-4-methoxy-4-oxidanyl-but-3-en-2-one
MOLECULAR FORMULA: C5H8O3
MOLECULAR WEIGHT: 116.11522
SMILES: CC(=O)/C=C(\O)/OC
Structure:
CAS RN: 4489-23-0
CAS Name: 1-bromo-4-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1-bromo-4-[(E)-prop-1-enyl]benzene
IUPAC Name: 1-bromo-4-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 1-bromanyl-4-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C9H9Br
MOLECULAR WEIGHT: 197.07176
SMILES: C/C=C/C1=CC=C(C=C1)Br
Structure:
CAS RN: 4452-07-7
CAS Name: (Z)-2-phenyl-3-(4-propan-2-ylphenyl)-2-propenenitrile
OPENEYE Name: (Z)-3-(4-isopropylphenyl)-2-phenyl-prop-2-enenitrile
IUPAC Name: (Z)-2-phenyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-phenyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C18H17N
MOLECULAR WEIGHT: 247.33428
SMILES: CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=C2
Structure:
CAS RN: 4365-04-2
CAS Name: (E)-2-phenylethenol
OPENEYE Name: (E)-2-phenylethenol
IUPAC Name: (E)-2-phenylethenol
SYSTEMATIC NAME: (E)-2-phenylethenol
MOLECULAR FORMULA: C8H8O
MOLECULAR WEIGHT: 120.14852
SMILES: C1=CC=C(C=C1)/C=C/O
Structure:
CAS RN: 4364-06-1
CAS Name: [(E)-3,3-dimethoxyprop-1-enyl]benzene
OPENEYE Name: [(E)-3,3-dimethoxyprop-1-enyl]benzene
IUPAC Name: [(E)-3,3-dimethoxyprop-1-enyl]benzene
SYSTEMATIC NAME: [(E)-3,3-dimethoxyprop-1-enyl]benzene
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: COC(/C=C/C1=CC=CC=C1)OC
Structure:
CAS RN: 4342-10-3
CAS Name: (5Z)-5-[(dibutylamino)hydrazinylidene]-4-triazolecarboxamide
OPENEYE Name: (5Z)-5-[(dibutylamino)hydrazono]triazole-4-carboxamide
IUPAC Name: (5Z)-5-[(dibutylamino)hydrazinylidene]triazole-4-carboxamide
SYSTEMATIC NAME: (5Z)-5-[(dibutylamino)hydrazinylidene]-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C11H21N7O
MOLECULAR WEIGHT: 267.33074
SMILES: CCCCN(CCCC)N/N=C\1/C(=NN=N1)C(=O)N
Structure:
CAS RN: 42251-12-7
CAS Name: (Z)-3-nitro-3-phenyl-2-propenoic acid methyl ester
OPENEYE Name: methyl (Z)-3-nitro-3-phenyl-prop-2-enoate
IUPAC Name: methyl (Z)-3-nitro-3-phenylprop-2-enoate
SYSTEMATIC NAME: methyl (Z)-3-nitro-3-phenyl-prop-2-enoate
MOLECULAR FORMULA: C10H9NO4
MOLECULAR WEIGHT: 207.18276
SMILES: COC(=O)/C=C(/C1=CC=CC=C1)\[N+](=O)[O-]
Structure:
CAS RN: 42131-98-6
CAS Name: (Z)-2-chloro-2-pentene
OPENEYE Name: (Z)-2-chloropent-2-ene
IUPAC Name: (Z)-2-chloropent-2-ene
SYSTEMATIC NAME: (Z)-2-chloranylpent-2-ene
MOLECULAR FORMULA: C5H9Cl
MOLECULAR WEIGHT: 104.57796
SMILES: CC/C=C(/C)\Cl
Structure:
CAS RN: 67747-70-0
CAS Name: (Z)-2-chloro-2-pentene
OPENEYE Name: (Z)-2-chloropent-2-ene
IUPAC Name: (Z)-2-chloropent-2-ene
SYSTEMATIC NAME: (Z)-2-chloranylpent-2-ene
MOLECULAR FORMULA: C5H9Cl
MOLECULAR WEIGHT: 104.57796
SMILES: CC/C=C(/C)\Cl
Structure:
CAS RN: 4203-31-0
CAS Name: (E)-2-diazonio-1-(4-nitrophenyl)ethenolate
OPENEYE Name: (E)-2-diazonio-1-(4-nitrophenyl)ethenolate
IUPAC Name: (E)-2-diazonio-1-(4-nitrophenyl)ethenolate
SYSTEMATIC NAME: (E)-2-diazonio-1-(4-nitrophenyl)ethenolate
MOLECULAR FORMULA: C8H5N3O3
MOLECULAR WEIGHT: 191.1436
SMILES: C1=CC(=CC=C1/C(=C\[N+]#N)/[O-])[N+](=O)[O-]
Structure:
CAS RN: 4188-71-0
CAS Name: 2-methyl-2-[(Z)-prop-1-enoxy]propane
OPENEYE Name: 2-methyl-2-[(Z)-prop-1-enoxy]propane
IUPAC Name: 2-methyl-2-[(Z)-prop-1-enoxy]propane
SYSTEMATIC NAME: 2-methyl-2-[(Z)-prop-1-enoxy]propane
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: C/C=C\OC(C)(C)C
Structure:
CAS RN: 41463-69-8
CAS Name: (Z)-bis(1-methyl-5-tetrazolyl)diazene
OPENEYE Name: (Z)-bis(1-methyltetrazol-5-yl)diazene
IUPAC Name: (Z)-bis(1-methyltetrazol-5-yl)diazene
SYSTEMATIC NAME: (Z)-bis(1-methyl-1,2,3,4-tetrazol-5-yl)diazene
MOLECULAR FORMULA: C4H6N10
MOLECULAR WEIGHT: 194.15744
SMILES: CN1C(=NN=N1)/N=N\C2=NN=NN2C
Structure:
CAS RN: 41463-68-7
CAS Name: (E)-bis(1-methyl-5-tetrazolyl)diazene
OPENEYE Name: (E)-bis(1-methyltetrazol-5-yl)diazene
IUPAC Name: (E)-bis(1-methyltetrazol-5-yl)diazene
SYSTEMATIC NAME: (E)-bis(1-methyl-1,2,3,4-tetrazol-5-yl)diazene
MOLECULAR FORMULA: C4H6N10
MOLECULAR WEIGHT: 194.15744
SMILES: CN1C(=NN=N1)/N=N/C2=NN=NN2C
Structure:
CAS RN: 41233-74-3
CAS Name: (3E)-2,5-dimethylhexa-1,3,5-triene
OPENEYE Name: (3E)-2,5-dimethylhexa-1,3,5-triene
IUPAC Name: (3E)-2,5-dimethylhexa-1,3,5-triene
SYSTEMATIC NAME: (3E)-2,5-dimethylhexa-1,3,5-triene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: CC(=C)/C=C/C(=C)C
Structure:
CAS RN: 4916-63-6
CAS Name: (3E)-2,5-dimethylhexa-1,3,5-triene
OPENEYE Name: (3E)-2,5-dimethylhexa-1,3,5-triene
IUPAC Name: (3E)-2,5-dimethylhexa-1,3,5-triene
SYSTEMATIC NAME: (3E)-2,5-dimethylhexa-1,3,5-triene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: CC(=C)/C=C/C(=C)C
Structure:
CAS RN: 40806-93-7
CAS Name: 1-[(E)-2-methylsulfonylethenyl]-4-nitrobenzene
OPENEYE Name: 1-[(E)-2-methylsulfonylvinyl]-4-nitro-benzene
IUPAC Name: 1-[(E)-2-methylsulfonylethenyl]-4-nitrobenzene
SYSTEMATIC NAME: 1-[(E)-2-methylsulfonylethenyl]-4-nitro-benzene
MOLECULAR FORMULA: C9H9NO4S
MOLECULAR WEIGHT: 227.23706
SMILES: CS(=O)(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 40716-31-2
CAS Name: 2-methyl-1-[(E)-prop-1-enoxy]-1-propene
OPENEYE Name: 2-methyl-1-[(E)-prop-1-enoxy]prop-1-ene
IUPAC Name: 2-methyl-1-[(E)-prop-1-enoxy]prop-1-ene
SYSTEMATIC NAME: 2-methyl-1-[(E)-prop-1-enoxy]prop-1-ene
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: C/C=C/OC=C(C)C
Structure:
CAS RN: 20327-65-5
CAS Name: (E)-1-fluoro-1-propene
OPENEYE Name: (E)-1-fluoroprop-1-ene
IUPAC Name: (E)-1-fluoroprop-1-ene
SYSTEMATIC NAME: (E)-1-fluoranylprop-1-ene
MOLECULAR FORMULA: C3H5F
MOLECULAR WEIGHT: 60.070203
SMILES: C/C=C/F
Structure:
CAS RN: 40595-36-6
CAS Name: dimethyl-[(E)-2-phenylethenyl]-trimethylsilylsilane
OPENEYE Name: dimethyl-[(E)-styryl]-trimethylsilyl-silane
IUPAC Name: dimethyl-[(E)-2-phenylethenyl]-trimethylsilylsilane
SYSTEMATIC NAME: dimethyl-[(E)-2-phenylethenyl]-trimethylsilyl-silane
MOLECULAR FORMULA: C13H22Si2
MOLECULAR WEIGHT: 234.48478
SMILES: C[Si](C)(C)[Si](C)(C)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 40595-35-5
CAS Name: trimethyl-[(Z)-3-phenylprop-2-enyl]silane
OPENEYE Name: [(Z)-cinnamyl]-trimethyl-silane
IUPAC Name: trimethyl-[(Z)-3-phenylprop-2-enyl]silane
SYSTEMATIC NAME: trimethyl-[(Z)-3-phenylprop-2-enyl]silane
MOLECULAR FORMULA: C12H18Si
MOLECULAR WEIGHT: 190.35682
SMILES: C[Si](C)(C)C/C=C\C1=CC=CC=C1
Structure:
CAS RN: 40595-34-4
CAS Name: trimethyl-[(E)-3-phenylprop-2-enyl]silane
OPENEYE Name: [(E)-cinnamyl]-trimethyl-silane
IUPAC Name: trimethyl-[(E)-3-phenylprop-2-enyl]silane
SYSTEMATIC NAME: trimethyl-[(E)-3-phenylprop-2-enyl]silane
MOLECULAR FORMULA: C12H18Si
MOLECULAR WEIGHT: 190.35682
SMILES: C[Si](C)(C)C/C=C/C1=CC=CC=C1
Structure:
CAS RN: 40553-10-4
CAS Name: (Z)-3-mercapto-2-butenoic acid propyl ester
OPENEYE Name: propyl (Z)-3-sulfanylbut-2-enoate
IUPAC Name: propyl (Z)-3-sulfanylbut-2-enoate
SYSTEMATIC NAME: propyl (Z)-3-sulfanylbut-2-enoate
MOLECULAR FORMULA: C7H12O2S
MOLECULAR WEIGHT: 160.23398
SMILES: CCCOC(=O)/C=C(/C)\S
Structure:
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