CAS RN: 16054-20-9
CAS Name: [(E)-2,5-dimethyl-5-trimethylsilylhex-3-en-2-yl]-trimethylsilane
OPENEYE Name: trimethyl-[(E)-1,1,4-trimethyl-4-trimethylsilyl-pent-2-enyl]silane
IUPAC Name: [(E)-2,5-dimethyl-5-trimethylsilylhex-3-en-2-yl]-trimethylsilane
SYSTEMATIC NAME: [(E)-2,5-dimethyl-5-trimethylsilyl-hex-3-en-2-yl]-trimethyl-silane
MOLECULAR FORMULA: C14H32Si2
MOLECULAR WEIGHT: 256.57488
SMILES: CC(C)(/C=C/C(C)(C)[Si](C)(C)C)[Si](C)(C)C
Structure:
CAS RN: 1604-32-6
CAS Name: (3E,5E)-6,10,14-trimethyl-2-pentadeca-3,5-dienone
OPENEYE Name: (3E,5E)-6,10,14-trimethylpentadeca-3,5-dien-2-one
IUPAC Name: (3E,5E)-6,10,14-trimethylpentadeca-3,5-dien-2-one
SYSTEMATIC NAME: (3E,5E)-6,10,14-trimethylpentadeca-3,5-dien-2-one
MOLECULAR FORMULA: C18H32O
MOLECULAR WEIGHT: 264.44608
SMILES: CC(C)CCCC(C)CCC/C(=C/C=C/C(=O)C)/C
Structure:
CAS RN: 15840-81-0
CAS Name: (1E,6E)-cyclodeca-1,6-diene
OPENEYE Name: (1E,6E)-cyclodeca-1,6-diene
IUPAC Name: (1E,6E)-cyclodeca-1,6-diene
SYSTEMATIC NAME: (1E,6E)-cyclodeca-1,6-diene
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: C1C/C=C/CCC/C=C/C1
Structure:
CAS RN: 1577-52-2
CAS Name: (9E,12E)-1-octadeca-9,12-dienol
OPENEYE Name: (9E,12E)-octadeca-9,12-dien-1-ol
IUPAC Name: (9E,12E)-octadeca-9,12-dien-1-ol
SYSTEMATIC NAME: (9E,12E)-octadeca-9,12-dien-1-ol
MOLECULAR FORMULA: C18H34O
MOLECULAR WEIGHT: 266.46196
SMILES: CCCCC/C=C/C/C=C/CCCCCCCCO
Structure:
CAS RN: 15753-84-1
CAS Name: (E)-4-(3-methylphenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(m-tolyl)but-3-en-2-one
IUPAC Name: (E)-4-(3-methylphenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(3-methylphenyl)but-3-en-2-one
MOLECULAR FORMULA: C11H12O
MOLECULAR WEIGHT: 160.21238
SMILES: CC1=CC=CC(=C1)/C=C/C(=O)C
Structure:
CAS RN: 95416-57-2
CAS Name: (E)-4-(3-methylphenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(m-tolyl)but-3-en-2-one
IUPAC Name: (E)-4-(3-methylphenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(3-methylphenyl)but-3-en-2-one
MOLECULAR FORMULA: C11H12O
MOLECULAR WEIGHT: 160.21238
SMILES: CC1=CC=CC(=C1)/C=C/C(=O)C
Structure:
CAS RN: 1560-09-4
CAS Name: [(Z)-but-1-enyl]benzene
OPENEYE Name: [(Z)-but-1-enyl]benzene
IUPAC Name: [(Z)-but-1-enyl]benzene
SYSTEMATIC NAME: [(Z)-but-1-enyl]benzene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: CC/C=C\C1=CC=CC=C1
Structure:
CAS RN: 1504-63-8
CAS Name: (E)-3-(4-nitrophenyl)-2-propen-1-ol
OPENEYE Name: (E)-3-(4-nitrophenyl)prop-2-en-1-ol
IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-en-1-ol
SYSTEMATIC NAME: (E)-3-(4-nitrophenyl)prop-2-en-1-ol
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C1=CC(=CC=C1/C=C/CO)[N+](=O)[O-]
Structure:
CAS RN: 1504-54-7
CAS Name: (E)-3-phenyl-2-buten-1-ol
OPENEYE Name: (E)-3-phenylbut-2-en-1-ol
IUPAC Name: (E)-3-phenylbut-2-en-1-ol
SYSTEMATIC NAME: (E)-3-phenylbut-2-en-1-ol
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: C/C(=C\CO)/C1=CC=CC=C1
Structure:
CAS RN: 15036-31-4
CAS Name: (E)-3-phenyl-2-propeneperoxoic acid [(E)-1-oxo-3-phenylprop-2-enyl] ester
OPENEYE Name: [(E)-3-phenylprop-2-enoyl] (E)-3-phenylprop-2-eneperoxoate
IUPAC Name: [(E)-3-phenylprop-2-enoyl] (E)-3-phenylprop-2-eneperoxoate
SYSTEMATIC NAME: [(E)-3-phenylprop-2-enoyl] (E)-3-phenylprop-2-eneperoxoate
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: C1=CC=C(C=C1)/C=C/C(=O)OOC(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 1502-47-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C6H6N10
MOLECULAR WEIGHT: 218.17884
SMILES: C1(=NC2=NC(=NC3=NC(=NC(=N1)N23)N)N)N
Structure:
CAS RN: 14952-05-7
CAS Name: (E)-2-nonenamide
OPENEYE Name: (E)-non-2-enamide
IUPAC Name: (E)-non-2-enamide
SYSTEMATIC NAME: (E)-non-2-enamide
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CCCCCC/C=C/C(=O)N
Structure:
CAS RN: 14596-92-0
CAS Name: (3Z)-hexa-1,3-diene
OPENEYE Name: (3Z)-hexa-1,3-diene
IUPAC Name: (3Z)-hexa-1,3-diene
SYSTEMATIC NAME: (3Z)-hexa-1,3-diene
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CC/C=C\C=C
Structure:
CAS RN: 14465-68-0
CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid 2,3-bis[(9Z,12Z,15Z)-1-oxooctadeca-9,12,15-trienoxy]propyl ester
OPENEYE Name: 2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
IUPAC Name: 2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SYSTEMATIC NAME: 2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
MOLECULAR FORMULA: C57H92O6
MOLECULAR WEIGHT: 873.33678
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Structure:
CAS RN: 1438-25-1
CAS Name: (5E)-3-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-5-(phenylmethylene)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: (5E)-5-benzylidene-3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-thioxo-thiazolidin-4-one
IUPAC Name: (5E)-5-benzylidene-3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5E)-3-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C17H12N2O2S2
MOLECULAR WEIGHT: 340.41938
SMILES: C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 14272-82-3
CAS Name: (Z)-3-ethylpent-3-en-1-yne
OPENEYE Name: (Z)-3-ethylpent-3-en-1-yne
IUPAC Name: (Z)-3-ethylpent-3-en-1-yne
SYSTEMATIC NAME: (Z)-3-ethylpent-3-en-1-yne
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: CC/C(=C/C)/C#C
Structure:
CAS RN: 14255-64-2
CAS Name: (1Z,5Z)-cyclonona-1,5-diene
OPENEYE Name: (1Z,5Z)-cyclonona-1,5-diene
IUPAC Name: (1Z,5Z)-cyclonona-1,5-diene
SYSTEMATIC NAME: (1Z,5Z)-cyclonona-1,5-diene
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: C1C/C=C\CC/C=C\C1
Structure:
CAS RN: 15753-74-9
CAS Name: (1Z,5Z)-cyclonona-1,5-diene
OPENEYE Name: (1Z,5Z)-cyclonona-1,5-diene
IUPAC Name: (1Z,5Z)-cyclonona-1,5-diene
SYSTEMATIC NAME: (1Z,5Z)-cyclonona-1,5-diene
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: C1C/C=C\CC/C=C\C1
Structure:
CAS RN: 141-64-0
CAS Name: (E)-1-chloro-5,5,7,7-tetramethyl-2-octene
OPENEYE Name: (E)-1-chloro-5,5,7,7-tetramethyl-oct-2-ene
IUPAC Name: (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene
SYSTEMATIC NAME: (E)-1-chloranyl-5,5,7,7-tetramethyl-oct-2-ene
MOLECULAR FORMULA: C12H23Cl
MOLECULAR WEIGHT: 202.76402
SMILES: CC(C)(C)CC(C)(C)C/C=C/CCl
Structure:
CAS RN: 14088-58-5
CAS Name: (Z)-3-diazonio-2-buten-2-olate
OPENEYE Name: (Z)-3-diazoniobut-2-en-2-olate
IUPAC Name: (Z)-3-diazoniobut-2-en-2-olate
SYSTEMATIC NAME: (Z)-3-diazoniobut-2-en-2-olate
MOLECULAR FORMULA: C4H6N2O
MOLECULAR WEIGHT: 98.10324
SMILES: C/C(=C(\C)/[O-])/[N+]#N
Structure:
CAS RN: 14088-57-4
CAS Name: (Z)-2-diazonio-1-phenyl-1-propen-1-olate
OPENEYE Name: (Z)-2-diazonio-1-phenyl-prop-1-en-1-olate
IUPAC Name: (Z)-2-diazonio-1-phenylprop-1-en-1-olate
SYSTEMATIC NAME: (Z)-2-diazonio-1-phenyl-prop-1-en-1-olate
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: C/C(=C(\C1=CC=CC=C1)/[O-])/[N+]#N
Structure:
CAS RN: 140-05-6
CAS Name: (Z)-12-acetyloxy-9-octadecenoic acid 2-methoxyethyl ester
OPENEYE Name: 2-methoxyethyl (Z)-12-acetoxyoctadec-9-enoate
IUPAC Name: 2-methoxyethyl (Z)-12-acetyloxyoctadec-9-enoate
SYSTEMATIC NAME: 2-methoxyethyl (Z)-12-acetyloxyoctadec-9-enoate
MOLECULAR FORMULA: C23H42O5
MOLECULAR WEIGHT: 398.57658
SMILES: CCCCCCC(C/C=C\CCCCCCCC(=O)OCCOC)OC(=O)C
Structure:
CAS RN: 140-04-5
CAS Name: (Z)-12-acetyloxy-9-octadecenoic acid butyl ester
OPENEYE Name: butyl (Z)-12-acetoxyoctadec-9-enoate
IUPAC Name: butyl (Z)-12-acetyloxyoctadec-9-enoate
SYSTEMATIC NAME: butyl (Z)-12-acetyloxyoctadec-9-enoate
MOLECULAR FORMULA: C24H44O4
MOLECULAR WEIGHT: 396.60376
SMILES: CCCCCCC(C/C=C\CCCCCCCC(=O)OCCCC)OC(=O)C
Structure:
CAS RN: 26302-38-5
CAS Name: (Z)-12-acetyloxy-9-octadecenoic acid butyl ester
OPENEYE Name: butyl (Z)-12-acetoxyoctadec-9-enoate
IUPAC Name: butyl (Z)-12-acetyloxyoctadec-9-enoate
SYSTEMATIC NAME: butyl (Z)-12-acetyloxyoctadec-9-enoate
MOLECULAR FORMULA: C24H44O4
MOLECULAR WEIGHT: 396.60376
SMILES: CCCCCCC(C/C=C\CCCCCCCC(=O)OCCCC)OC(=O)C
Structure:
CAS RN: 13894-28-5
CAS Name: (E)-3-(diethylamino)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(diethylamino)prop-2-enoate
IUPAC Name: ethyl (E)-3-(diethylamino)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(diethylamino)prop-2-enoate
MOLECULAR FORMULA: C9H17NO2
MOLECULAR WEIGHT: 171.23678
SMILES: CCN(CC)/C=C/C(=O)OCC
Structure:
CAS RN: 13776-62-0
CAS Name: (E)-difluorodiazene
OPENEYE Name: (E)-difluorodiazene
IUPAC Name: (E)-difluorodiazene
SYSTEMATIC NAME: (E)-bis(fluoranyl)diazene
MOLECULAR FORMULA: F2N2
MOLECULAR WEIGHT: 66.010206
SMILES: N(=N/F)\F
Structure:
CAS RN: 13750-57-7
CAS Name: 1-[(E)-pent-2-en-3-yl]pyrrolidine
OPENEYE Name: 1-[(E)-1-ethylprop-1-enyl]pyrrolidine
IUPAC Name: 1-[(E)-pent-2-en-3-yl]pyrrolidine
SYSTEMATIC NAME: 1-[(E)-pent-2-en-3-yl]pyrrolidine
MOLECULAR FORMULA: C9H17N
MOLECULAR WEIGHT: 139.23798
SMILES: CC/C(=C\C)/N1CCCC1
Structure:
CAS RN: 13608-36-1
CAS Name: N-[(E)-2,2-dimethylpropylideneamino]-2,4-dinitroaniline
OPENEYE Name: N-[(E)-2,2-dimethylpropylideneamino]-2,4-dinitro-aniline
IUPAC Name: N-[(E)-2,2-dimethylpropylideneamino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(E)-2,2-dimethylpropylideneamino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C11H14N4O4
MOLECULAR WEIGHT: 266.25326
SMILES: CC(C)(C)/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 13436-03-8
CAS Name: (E)-bis(trimethylsilyl)diazene
OPENEYE Name: (E)-bis(trimethylsilyl)diazene
IUPAC Name: (E)-bis(trimethylsilyl)diazene
SYSTEMATIC NAME: (E)-bis(trimethylsilyl)diazene
MOLECULAR FORMULA: C6H18N2Si2
MOLECULAR WEIGHT: 174.39152
SMILES: C[Si](C)(C)/N=N/[Si](C)(C)C
Structure:
CAS RN: 13294-31-0
CAS Name: [(Z)-2-ethoxyethenyl]benzene
OPENEYE Name: [(Z)-2-ethoxyvinyl]benzene
IUPAC Name: [(Z)-2-ethoxyethenyl]benzene
SYSTEMATIC NAME: [(Z)-2-ethoxyethenyl]benzene
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CCO/C=C\C1=CC=CC=C1
Structure:
CAS RN: 53510-18-2
CAS Name: (E)-5-methyl-3-heptene
OPENEYE Name: (E)-5-methylhept-3-ene
IUPAC Name: (E)-5-methylhept-3-ene
SYSTEMATIC NAME: (E)-5-methylhept-3-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC/C=C/C(C)CC
Structure:
CAS RN: 22147-33-7
CAS Name: (E)-9-octadecenoic acid butyl ester
OPENEYE Name: butyl (E)-octadec-9-enoate
IUPAC Name: butyl (E)-octadec-9-enoate
SYSTEMATIC NAME: butyl (E)-octadec-9-enoate
MOLECULAR FORMULA: C22H42O2
MOLECULAR WEIGHT: 338.56768
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCCCC
Structure:
CAS RN: 13044-92-3
CAS Name: (2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienal
OPENEYE Name: (2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienal
IUPAC Name: (2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienal
SYSTEMATIC NAME: (2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienal
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CN(C)/C=C/C=C/C=C/C=O
Structure:
CAS RN: 15402-36-5
CAS Name: trimethyl(7H-purin-6-yl)ammonium
OPENEYE Name: trimethyl(7H-purin-6-yl)ammonium
IUPAC Name: trimethyl(7H-purin-6-yl)azanium
SYSTEMATIC NAME: trimethyl(7H-purin-6-yl)azanium
MOLECULAR FORMULA: C8H12N5+
MOLECULAR WEIGHT: 178.21438
SMILES: C[N+](C)(C)C1=NC=NC2=C1NC=N2
Structure:
CAS RN: 123-77-3
CAS Name: (E)-carbamoyliminourea
OPENEYE Name: (E)-carbamoyliminourea
IUPAC Name: (E)-carbamoyliminourea
SYSTEMATIC NAME: (1E)-1-aminocarbonyliminourea
MOLECULAR FORMULA: C2H4N4O2
MOLECULAR WEIGHT: 116.07876
SMILES: C(=O)(N)/N=N/C(=O)N
Structure:
CAS RN: 183256-78-2
CAS Name: (E)-carbamoyliminourea
OPENEYE Name: (E)-carbamoyliminourea
IUPAC Name: (E)-carbamoyliminourea
SYSTEMATIC NAME: (1E)-1-aminocarbonyliminourea
MOLECULAR FORMULA: C2H4N4O2
MOLECULAR WEIGHT: 116.07876
SMILES: C(=O)(N)/N=N/C(=O)N
Structure:
CAS RN: 218433-14-8
CAS Name: (E)-carbamoyliminourea
OPENEYE Name: (E)-carbamoyliminourea
IUPAC Name: (E)-carbamoyliminourea
SYSTEMATIC NAME: (1E)-1-aminocarbonyliminourea
MOLECULAR FORMULA: C2H4N4O2
MOLECULAR WEIGHT: 116.07876
SMILES: C(=O)(N)/N=N/C(=O)N
Structure:
CAS RN: 221272-72-6
CAS Name: (E)-carbamoyliminourea
OPENEYE Name: (E)-carbamoyliminourea
IUPAC Name: (E)-carbamoyliminourea
SYSTEMATIC NAME: (1E)-1-aminocarbonyliminourea
MOLECULAR FORMULA: C2H4N4O2
MOLECULAR WEIGHT: 116.07876
SMILES: C(=O)(N)/N=N/C(=O)N
Structure:
CAS RN: 52737-71-0
CAS Name: (E)-carbamoyliminourea
OPENEYE Name: (E)-carbamoyliminourea
IUPAC Name: (E)-carbamoyliminourea
SYSTEMATIC NAME: (1E)-1-aminocarbonyliminourea
MOLECULAR FORMULA: C2H4N4O2
MOLECULAR WEIGHT: 116.07876
SMILES: C(=O)(N)/N=N/C(=O)N
Structure:
CAS RN: 62494-61-5
CAS Name: (E)-carbamoyliminourea
OPENEYE Name: (E)-carbamoyliminourea
IUPAC Name: (E)-carbamoyliminourea
SYSTEMATIC NAME: (1E)-1-aminocarbonyliminourea
MOLECULAR FORMULA: C2H4N4O2
MOLECULAR WEIGHT: 116.07876
SMILES: C(=O)(N)/N=N/C(=O)N
Structure:
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