CAS RN: 92687-89-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H11ClO
MOLECULAR WEIGHT: 206.66814
SMILES: C1C2C3C4C1C5C2/C(=C\Cl)/C3C4C5=O
Structure:
CAS RN: 925-56-4
CAS Name: (E)-3-cyano-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-cyanoprop-2-enoate
IUPAC Name: methyl (E)-3-cyanoprop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-cyanoprop-2-enoate
MOLECULAR FORMULA: C5H5NO2
MOLECULAR WEIGHT: 111.0987
SMILES: COC(=O)/C=C/C#N
Structure:
CAS RN: 90653-55-7
CAS Name: 1-bromo-4-[(E)-2-methylsulfonylethenyl]benzene
OPENEYE Name: 1-bromo-4-[(E)-2-methylsulfonylvinyl]benzene
IUPAC Name: 1-bromo-4-[(E)-2-methylsulfonylethenyl]benzene
SYSTEMATIC NAME: 1-bromanyl-4-[(E)-2-methylsulfonylethenyl]benzene
MOLECULAR FORMULA: C9H9BrO2S
MOLECULAR WEIGHT: 261.13556
SMILES: CS(=O)(=O)/C=C/C1=CC=C(C=C1)Br
Structure:
CAS RN: 88916-22-7
CAS Name: (E)-1-(propan-2-ylthio)-2-butene
OPENEYE Name: (E)-1-isopropylsulfanylbut-2-ene
IUPAC Name: (E)-1-propan-2-ylsulfanylbut-2-ene
SYSTEMATIC NAME: (E)-1-propan-2-ylsulfanylbut-2-ene
MOLECULAR FORMULA: C7H14S
MOLECULAR WEIGHT: 130.25106
SMILES: C/C=C/CSC(C)C
Structure:
CAS RN: 88566-62-5
CAS Name: (Z)-1,1,2,2-tetrafluoro-5-mercapto-4-hepten-3-one
OPENEYE Name: (Z)-1,1,2,2-tetrafluoro-5-sulfanyl-hept-4-en-3-one
IUPAC Name: (Z)-1,1,2,2-tetrafluoro-5-sulfanylhept-4-en-3-one
SYSTEMATIC NAME: (Z)-1,1,2,2-tetrakis(fluoranyl)-5-sulfanyl-hept-4-en-3-one
MOLECULAR FORMULA: C7H8F4OS
MOLECULAR WEIGHT: 216.196433
SMILES: CC/C(=C/C(=O)C(C(F)F)(F)F)/S
Structure:
CAS RN: 88566-61-4
CAS Name: (Z)-5,5,6,6,7,7,8,8-octafluoro-2-mercapto-2-octen-4-one
OPENEYE Name: (Z)-5,5,6,6,7,7,8,8-octafluoro-2-sulfanyl-oct-2-en-4-one
IUPAC Name: (Z)-5,5,6,6,7,7,8,8-octafluoro-2-sulfanyloct-2-en-4-one
SYSTEMATIC NAME: (Z)-5,5,6,6,7,7,8,8-octakis(fluoranyl)-2-sulfanyl-oct-2-en-4-one
MOLECULAR FORMULA: C8H6F8OS
MOLECULAR WEIGHT: 302.184866
SMILES: C/C(=C/C(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)/S
Structure:
CAS RN: 88552-01-6
CAS Name: (Z)-1,1,2,2-tetrafluoro-5-mercapto-6-methyl-4-hepten-3-one
OPENEYE Name: (Z)-1,1,2,2-tetrafluoro-6-methyl-5-sulfanyl-hept-4-en-3-one
IUPAC Name: (Z)-1,1,2,2-tetrafluoro-6-methyl-5-sulfanylhept-4-en-3-one
SYSTEMATIC NAME: (Z)-1,1,2,2-tetrakis(fluoranyl)-6-methyl-5-sulfanyl-hept-4-en-3-one
MOLECULAR FORMULA: C8H10F4OS
MOLECULAR WEIGHT: 230.223013
SMILES: CC(C)/C(=C/C(=O)C(C(F)F)(F)F)/S
Structure:
CAS RN: 84954-89-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22
MOLECULAR WEIGHT: 286.41008
SMILES: C1/C/2=C\3/C=C\C\4=C(/C=C2)\CCC5=C(C=C(C(=C5)C1)CC3)CC4
Structure:
CAS RN: 82937-01-7
CAS Name: (4E)-2,4-dimethylhexa-2,4-diene
OPENEYE Name: (4E)-2,4-dimethylhexa-2,4-diene
IUPAC Name: (4E)-2,4-dimethylhexa-2,4-diene
SYSTEMATIC NAME: (4E)-2,4-dimethylhexa-2,4-diene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: C/C=C(\C)/C=C(C)C
Structure:
CAS RN: 82937-00-6
CAS Name: (4Z)-2,4-dimethylhexa-2,4-diene
OPENEYE Name: (4Z)-2,4-dimethylhexa-2,4-diene
IUPAC Name: (4Z)-2,4-dimethylhexa-2,4-diene
SYSTEMATIC NAME: (4Z)-2,4-dimethylhexa-2,4-diene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: C/C=C(/C)\C=C(C)C
Structure:
CAS RN: 82554-97-0
CAS Name: (E)-bis[(2-methylpropan-2-yl)oxy]diazene
OPENEYE Name: (E)-ditert-butoxydiazene
IUPAC Name: (E)-bis[(2-methylpropan-2-yl)oxy]diazene
SYSTEMATIC NAME: (E)-bis[(2-methylpropan-2-yl)oxy]diazene
MOLECULAR FORMULA: C8H18N2O2
MOLECULAR WEIGHT: 174.24072
SMILES: CC(C)(C)O/N=N/OC(C)(C)C
Structure:
CAS RN: 820-99-5
CAS Name: (Z)-2-hexenamide
OPENEYE Name: (Z)-hex-2-enamide
IUPAC Name: (Z)-hex-2-enamide
SYSTEMATIC NAME: (Z)-hex-2-enamide
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: CCC/C=C\C(=O)N
Structure:
CAS RN: 81643-01-8
CAS Name: (E)-3-pentenoic acid tert-butyl ester
OPENEYE Name: tert-butyl (E)-pent-3-enoate
IUPAC Name: tert-butyl (E)-pent-3-enoate
SYSTEMATIC NAME: tert-butyl (E)-pent-3-enoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: C/C=C/CC(=O)OC(C)(C)C
Structure:
CAS RN: 81156-89-0
CAS Name: 1-[(E)-pent-2-en-3-yl]azetidine
OPENEYE Name: 1-[(E)-1-ethylprop-1-enyl]azetidine
IUPAC Name: 1-[(E)-pent-2-en-3-yl]azetidine
SYSTEMATIC NAME: 1-[(E)-pent-2-en-3-yl]azetidine
MOLECULAR FORMULA: C8H15N
MOLECULAR WEIGHT: 125.2114
SMILES: CC/C(=C\C)/N1CCC1
Structure:
CAS RN: 81156-87-8
CAS Name: 1-[(E)-but-1-enyl]azetidine
OPENEYE Name: 1-[(E)-but-1-enyl]azetidine
IUPAC Name: 1-[(E)-but-1-enyl]azetidine
SYSTEMATIC NAME: 1-[(E)-but-1-enyl]azetidine
MOLECULAR FORMULA: C7H13N
MOLECULAR WEIGHT: 111.18482
SMILES: CC/C=C/N1CCC1
Structure:
CAS RN: 80992-91-2
CAS Name: (E)-4-(3-iodophenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(3-iodophenyl)but-3-en-2-one
IUPAC Name: (E)-4-(3-iodophenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(3-iodanylphenyl)but-3-en-2-one
MOLECULAR FORMULA: C10H9IO
MOLECULAR WEIGHT: 272.08233
SMILES: CC(=O)/C=C/C1=CC(=CC=C1)I
Structure:
CAS RN: 80339-91-9
CAS Name: (1Z,3Z)-cycloocta-1,3-dien-6-yne
OPENEYE Name: (1Z,3Z)-cycloocta-1,3-dien-6-yne
IUPAC Name: (1Z,3Z)-cycloocta-1,3-dien-6-yne
SYSTEMATIC NAME: (1Z,3Z)-cycloocta-1,3-dien-6-yne
MOLECULAR FORMULA: C8H8
MOLECULAR WEIGHT: 104.14912
SMILES: C\1C#CC/C=C\C=C1
Structure:
CAS RN: 79947-84-5
CAS Name: (E)-2-pentenoic acid butyl ester
OPENEYE Name: butyl (E)-pent-2-enoate
IUPAC Name: butyl (E)-pent-2-enoate
SYSTEMATIC NAME: butyl (E)-pent-2-enoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CCCCOC(=O)/C=C/CC
Structure:
CAS RN: 79593-41-2
CAS Name: 2,3,4,6-tetratert-butyl-1,2,3,4,5,6-hexaphosphabicyclo[3.1.0]hexane
OPENEYE Name: 2,3,4,6-tetratert-butyl-1,2,3,4,5,6-hexaphosphabicyclo[3.1.0]hexane
IUPAC Name: 2,3,4,6-tetratert-butyl-1,2,3,4,5,6-hexaphosphabicyclo[3.1.0]hexane
SYSTEMATIC NAME: 2,3,4,6-tetratert-butyl-1,2,3,4,5,6-hexaphosphabicyclo[3.1.0]hexane
MOLECULAR FORMULA: C16H36P6
MOLECULAR WEIGHT: 414.299606
SMILES: CC(C)(C)P1P(P2P(P2P1C(C)(C)C)C(C)(C)C)C(C)(C)C
Structure:
CAS RN: 79517-52-5
CAS Name: 1,1-difluoro-2-[(E)-prop-1-enyl]cyclopropane
OPENEYE Name: 1,1-difluoro-2-[(E)-prop-1-enyl]cyclopropane
IUPAC Name: 1,1-difluoro-2-[(E)-prop-1-enyl]cyclopropane
SYSTEMATIC NAME: 1,1-bis(fluoranyl)-2-[(E)-prop-1-enyl]cyclopropane
MOLECULAR FORMULA: C6H8F2
MOLECULAR WEIGHT: 118.124526
SMILES: C/C=C/C1CC1(F)F
Structure:
CAS RN: 7796-54-5
CAS Name: (E)-1-iodo-1-propene
OPENEYE Name: (E)-1-iodoprop-1-ene
IUPAC Name: (E)-1-iodoprop-1-ene
SYSTEMATIC NAME: (E)-1-iodanylprop-1-ene
MOLECULAR FORMULA: C3H5I
MOLECULAR WEIGHT: 167.97627
SMILES: C/C=C/I
Structure:
CAS RN: 7796-36-3
CAS Name: (Z)-1-iodo-1-propene
OPENEYE Name: (Z)-1-iodoprop-1-ene
IUPAC Name: (Z)-1-iodoprop-1-ene
SYSTEMATIC NAME: (Z)-1-iodanylprop-1-ene
MOLECULAR FORMULA: C3H5I
MOLECULAR WEIGHT: 167.97627
SMILES: C/C=C\I
Structure:
CAS RN: 77614-69-8
CAS Name: (2Z,6Z)-bicyclo[6.2.0]deca-2,6-diene
OPENEYE Name: (2Z,6Z)-bicyclo[6.2.0]deca-2,6-diene
IUPAC Name: (2Z,6Z)-bicyclo[6.2.0]deca-2,6-diene
SYSTEMATIC NAME: (2Z,6Z)-bicyclo[6.2.0]deca-2,6-diene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: C1/C=C\C2C(/C=C\C1)CC2
Structure:
CAS RN: 77355-30-7
CAS Name: 1-fluoro-4-[(E)-2-methylsulfonylethenyl]benzene
OPENEYE Name: 1-fluoro-4-[(E)-2-methylsulfonylvinyl]benzene
IUPAC Name: 1-fluoro-4-[(E)-2-methylsulfonylethenyl]benzene
SYSTEMATIC NAME: 1-fluoranyl-4-[(E)-2-methylsulfonylethenyl]benzene
MOLECULAR FORMULA: C9H9FO2S
MOLECULAR WEIGHT: 200.229963
SMILES: CS(=O)(=O)/C=C/C1=CC=C(C=C1)F
Structure:
CAS RN: 77355-29-4
CAS Name: 1-methyl-4-[(E)-2-methylsulfonylethenyl]benzene
OPENEYE Name: 1-methyl-4-[(E)-2-methylsulfonylvinyl]benzene
IUPAC Name: 1-methyl-4-[(E)-2-methylsulfonylethenyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[(E)-2-methylsulfonylethenyl]benzene
MOLECULAR FORMULA: C10H12O2S
MOLECULAR WEIGHT: 196.26608
SMILES: CC1=CC=C(C=C1)/C=C/S(=O)(=O)C
Structure:
CAS RN: 77275-12-8
CAS Name: 2-[(E)-2-(2-bromophenyl)ethenyl]pyridine
OPENEYE Name: 2-[(E)-2-(2-bromophenyl)vinyl]pyridine
IUPAC Name: 2-[(E)-2-(2-bromophenyl)ethenyl]pyridine
SYSTEMATIC NAME: 2-[(E)-2-(2-bromophenyl)ethenyl]pyridine
MOLECULAR FORMULA: C13H10BrN
MOLECULAR WEIGHT: 260.1292
SMILES: C1=CC=C(C(=C1)/C=C/C2=CC=CC=N2)Br
Structure:
CAS RN: 77275-11-7
CAS Name: 2-[(E)-2-(2-methylphenyl)ethenyl]pyridine
OPENEYE Name: 2-[(E)-2-(o-tolyl)vinyl]pyridine
IUPAC Name: 2-[(E)-2-(2-methylphenyl)ethenyl]pyridine
SYSTEMATIC NAME: 2-[(E)-2-(2-methylphenyl)ethenyl]pyridine
MOLECULAR FORMULA: C14H13N
MOLECULAR WEIGHT: 195.25972
SMILES: CC1=CC=CC=C1/C=C/C2=CC=CC=N2
Structure:
CAS RN: 77275-10-6
CAS Name: 2-[(E)-2-(2-fluorophenyl)ethenyl]pyridine
OPENEYE Name: 2-[(E)-2-(2-fluorophenyl)vinyl]pyridine
IUPAC Name: 2-[(E)-2-(2-fluorophenyl)ethenyl]pyridine
SYSTEMATIC NAME: 2-[(E)-2-(2-fluorophenyl)ethenyl]pyridine
MOLECULAR FORMULA: C13H10FN
MOLECULAR WEIGHT: 199.223603
SMILES: C1=CC=C(C(=C1)/C=C/C2=CC=CC=N2)F
Structure:
CAS RN: 1577-55-5
CAS Name: (E)-9-octadecene-1,12-diol
OPENEYE Name: (E)-octadec-9-ene-1,12-diol
IUPAC Name: (E)-octadec-9-ene-1,12-diol
SYSTEMATIC NAME: (E)-octadec-9-ene-1,12-diol
MOLECULAR FORMULA: C18H36O2
MOLECULAR WEIGHT: 284.47724
SMILES: CCCCCCC(C/C=C/CCCCCCCCO)O
Structure:
CAS RN: 540-11-4
CAS Name: (E)-9-octadecene-1,12-diol
OPENEYE Name: (E)-octadec-9-ene-1,12-diol
IUPAC Name: (E)-octadec-9-ene-1,12-diol
SYSTEMATIC NAME: (E)-octadec-9-ene-1,12-diol
MOLECULAR FORMULA: C18H36O2
MOLECULAR WEIGHT: 284.47724
SMILES: CCCCCCC(C/C=C/CCCCCCCCO)O
Structure:
CAS RN: 7706-08-3
CAS Name: (E)-9-octadecene-1,12-diol
OPENEYE Name: (E)-octadec-9-ene-1,12-diol
IUPAC Name: (E)-octadec-9-ene-1,12-diol
SYSTEMATIC NAME: (E)-octadec-9-ene-1,12-diol
MOLECULAR FORMULA: C18H36O2
MOLECULAR WEIGHT: 284.47724
SMILES: CCCCCCC(C/C=C/CCCCCCCCO)O
Structure:
CAS RN: 76526-09-5
CAS Name: (Z)-3-mercapto-1-(4-methoxyphenyl)-3-phenyl-2-propen-1-one
OPENEYE Name: (Z)-1-(4-methoxyphenyl)-3-phenyl-3-sulfanyl-prop-2-en-1-one
IUPAC Name: (Z)-1-(4-methoxyphenyl)-3-phenyl-3-sulfanylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-1-(4-methoxyphenyl)-3-phenyl-3-sulfanyl-prop-2-en-1-one
MOLECULAR FORMULA: C16H14O2S
MOLECULAR WEIGHT: 270.34616
SMILES: COC1=CC=C(C=C1)C(=O)/C=C(/C2=CC=CC=C2)\S
Structure:
CAS RN: 76526-07-3
CAS Name: (Z)-1-(4-bromophenyl)-3-mercapto-3-phenyl-2-propen-1-one
OPENEYE Name: (Z)-1-(4-bromophenyl)-3-phenyl-3-sulfanyl-prop-2-en-1-one
IUPAC Name: (Z)-1-(4-bromophenyl)-3-phenyl-3-sulfanylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-1-(4-bromophenyl)-3-phenyl-3-sulfanyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H11BrOS
MOLECULAR WEIGHT: 319.21624
SMILES: C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=C(C=C2)Br)/S
Structure:
CAS RN: 764-44-3
CAS Name: (Z)-1,2-bis(methylthio)ethene
OPENEYE Name: (Z)-1,2-bis(methylsulfanyl)ethylene
IUPAC Name: (Z)-1,2-bis(methylsulfanyl)ethene
SYSTEMATIC NAME: (Z)-1,2-bis(methylsulfanyl)ethene
MOLECULAR FORMULA: C4H8S2
MOLECULAR WEIGHT: 120.23632
SMILES: CS/C=C\SC
Structure:
CAS RN: 76293-41-9
CAS Name: 2-[(Z)-2-(2-iodophenyl)ethenyl]pyridine
OPENEYE Name: 2-[(Z)-2-(2-iodophenyl)vinyl]pyridine
IUPAC Name: 2-[(Z)-2-(2-iodophenyl)ethenyl]pyridine
SYSTEMATIC NAME: 2-[(Z)-2-(2-iodanylphenyl)ethenyl]pyridine
MOLECULAR FORMULA: C13H10IN
MOLECULAR WEIGHT: 307.12967
SMILES: C1=CC=C(C(=C1)/C=C\C2=CC=CC=N2)I
Structure:
CAS RN: 76293-40-8
CAS Name: 2-[(Z)-2-(2-bromophenyl)ethenyl]pyridine
OPENEYE Name: 2-[(Z)-2-(2-bromophenyl)vinyl]pyridine
IUPAC Name: 2-[(Z)-2-(2-bromophenyl)ethenyl]pyridine
SYSTEMATIC NAME: 2-[(Z)-2-(2-bromophenyl)ethenyl]pyridine
MOLECULAR FORMULA: C13H10BrN
MOLECULAR WEIGHT: 260.1292
SMILES: C1=CC=C(C(=C1)/C=C\C2=CC=CC=N2)Br
Structure:
CAS RN: 76293-38-4
CAS Name: 2-[(Z)-2-(2-fluorophenyl)ethenyl]pyridine
OPENEYE Name: 2-[(Z)-2-(2-fluorophenyl)vinyl]pyridine
IUPAC Name: 2-[(Z)-2-(2-fluorophenyl)ethenyl]pyridine
SYSTEMATIC NAME: 2-[(Z)-2-(2-fluorophenyl)ethenyl]pyridine
MOLECULAR FORMULA: C13H10FN
MOLECULAR WEIGHT: 199.223603
SMILES: C1=CC=C(C(=C1)/C=C\C2=CC=CC=N2)F
Structure:
CAS RN: 4461-42-1
CAS Name: (E)-1-chloro-1-butene
OPENEYE Name: (E)-1-chlorobut-1-ene
IUPAC Name: (E)-1-chlorobut-1-ene
SYSTEMATIC NAME: (E)-1-chloranylbut-1-ene
MOLECULAR FORMULA: C4H7Cl
MOLECULAR WEIGHT: 90.55138
SMILES: CC/C=C/Cl
Structure:
CAS RN: 7611-87-2
CAS Name: (E)-1-chloro-1-butene
OPENEYE Name: (E)-1-chlorobut-1-ene
IUPAC Name: (E)-1-chlorobut-1-ene
SYSTEMATIC NAME: (E)-1-chloranylbut-1-ene
MOLECULAR FORMULA: C4H7Cl
MOLECULAR WEIGHT: 90.55138
SMILES: CC/C=C/Cl
Structure:
CAS RN: 75891-10-0
CAS Name: (3Z)-bicyclo[4.2.2]deca-3,7-diene
OPENEYE Name: (3Z)-bicyclo[4.2.2]deca-3,7-diene
IUPAC Name: (3Z)-bicyclo[4.2.2]deca-3,7-diene
SYSTEMATIC NAME: (3Z)-bicyclo[4.2.2]deca-3,7-diene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: C1CC2C/C=C\CC1C=C2
Structure:
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