CAS RN: 57943-19-8
CAS Name: 3-(2-hydroxy-6-oxo-1-cyclohexenyl)propanenitrile
OPENEYE Name: 3-(2-hydroxy-6-oxo-cyclohexen-1-yl)propanenitrile
IUPAC Name: 3-(2-hydroxy-6-oxocyclohexen-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanenitrile
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: C1CC(=C(C(=O)C1)CCC#N)O
Structure:
CAS RN: 10295-26-8
CAS Name: 4-bromo-3-methyl-2-butenoic acid
OPENEYE Name: 4-bromo-3-methyl-but-2-enoic acid
IUPAC Name: 4-bromo-3-methylbut-2-enoic acid
SYSTEMATIC NAME: 4-bromanyl-3-methyl-but-2-enoic acid
MOLECULAR FORMULA: C5H7BrO2
MOLECULAR WEIGHT: 179.01188
SMILES: CC(=CC(=O)O)CBr
Structure:
CAS RN: 33693-77-5
CAS Name: 2-bromo-3,3-dimethyl-1-butene
OPENEYE Name: 2-bromo-3,3-dimethyl-but-1-ene
IUPAC Name: 2-bromo-3,3-dimethylbut-1-ene
SYSTEMATIC NAME: 2-bromanyl-3,3-dimethyl-but-1-ene
MOLECULAR FORMULA: C6H11Br
MOLECULAR WEIGHT: 163.05554
SMILES: CC(C)(C)C(=C)Br
Structure:
CAS RN: 640-21-1
CAS Name: 1,2-dibromo-3,3-dimethylbutane
OPENEYE Name: 1,2-dibromo-3,3-dimethyl-butane
IUPAC Name: 1,2-dibromo-3,3-dimethylbutane
SYSTEMATIC NAME: 1,2-bis(bromanyl)-3,3-dimethyl-butane
MOLECULAR FORMULA: C6H12Br2
MOLECULAR WEIGHT: 243.96748
SMILES: CC(C)(C)C(CBr)Br
Structure:
CAS RN: 70423-43-7
CAS Name: 4-hydroxy-3-methyl-2-butenoic acid ethyl ester
OPENEYE Name: ethyl 4-hydroxy-3-methyl-but-2-enoate
IUPAC Name: ethyl 4-hydroxy-3-methylbut-2-enoate
SYSTEMATIC NAME: ethyl 3-methyl-4-oxidanyl-but-2-enoate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: CCOC(=O)C=C(C)CO
Structure:
CAS RN: 68875-08-1
CAS Name: 2-(2-methyl-2-oxiranyl)acetonitrile
OPENEYE Name: 2-(2-methyloxiran-2-yl)acetonitrile
IUPAC Name: 2-(2-methyloxiran-2-yl)acetonitrile
SYSTEMATIC NAME: 2-(2-methyloxiran-2-yl)ethanenitrile
MOLECULAR FORMULA: C5H7NO
MOLECULAR WEIGHT: 97.11518
SMILES: CC1(CO1)CC#N
Structure:
CAS RN: 61185-33-9
CAS Name: 3-(1-methylcyclopropyl)-3-oxopropanoic acid methyl ester
OPENEYE Name: methyl 3-(1-methylcyclopropyl)-3-oxo-propanoate
IUPAC Name: methyl 3-(1-methylcyclopropyl)-3-oxopropanoate
SYSTEMATIC NAME: methyl 3-(1-methylcyclopropyl)-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C8H12O3
MOLECULAR WEIGHT: 156.17908
SMILES: CC1(CC1)C(=O)CC(=O)OC
Structure:
CAS RN: 42747-36-4
CAS Name: 3-(2-chloro-4-methyl-6-oxo-1-cyclohexenyl)propanenitrile
OPENEYE Name: 3-(2-chloro-4-methyl-6-oxo-cyclohexen-1-yl)propanenitrile
IUPAC Name: 3-(2-chloro-4-methyl-6-oxocyclohexen-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(2-chloranyl-4-methyl-6-oxidanylidene-cyclohexen-1-yl)propanenitrile
MOLECULAR FORMULA: C10H12ClNO
MOLECULAR WEIGHT: 197.66138
SMILES: CC1CC(=C(C(=O)C1)CCC#N)Cl
Structure:
CAS RN: 35482-84-9
CAS Name: 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate
IUPAC Name: ethyl 4a,7,7-trimethyl-2-oxo-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate
SYSTEMATIC NAME: ethyl 4a,7,7-trimethyl-2-oxidanylidene-4,5,6,8-tetrahydro-3H-naphthalene-1-carboxylate
MOLECULAR FORMULA: C16H24O3
MOLECULAR WEIGHT: 264.35996
SMILES: CCOC(=O)C1=C2CC(CCC2(CCC1=O)C)(C)C
Structure:
CAS RN: 1192-78-5
CAS Name: 7-oxabicyclo[4.1.0]heptan-5-ol
OPENEYE Name: 7-oxabicyclo[4.1.0]heptan-5-ol
IUPAC Name: 7-oxabicyclo[4.1.0]heptan-5-ol
SYSTEMATIC NAME: 7-oxabicyclo[4.1.0]heptan-5-ol
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C1CC(C2C(C1)O2)O
Structure:
CAS RN: 26828-73-9
CAS Name: 7-oxabicyclo[4.1.0]heptan-5-ol
OPENEYE Name: 7-oxabicyclo[4.1.0]heptan-5-ol
IUPAC Name: 7-oxabicyclo[4.1.0]heptan-5-ol
SYSTEMATIC NAME: 7-oxabicyclo[4.1.0]heptan-5-ol
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C1CC(C2C(C1)O2)O
Structure:
CAS RN: 41892-36-8
CAS Name: methanesulfinic acid decyl ester
OPENEYE Name: decyl methanesulfinate
IUPAC Name: decyl methanesulfinate
SYSTEMATIC NAME: decyl methanesulfinate
MOLECULAR FORMULA: C11H24O2S
MOLECULAR WEIGHT: 220.37206
SMILES: CCCCCCCCCCOS(=O)C
Structure:
CAS RN: 22274-75-5
CAS Name: 2-(3-oxocyclohexyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(3-oxocyclohexyl)propanedioate
IUPAC Name: diethyl 2-(3-oxocyclohexyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(3-oxidanylidenecyclohexyl)propanedioate
MOLECULAR FORMULA: C13H20O5
MOLECULAR WEIGHT: 256.2949
SMILES: CCOC(=O)C(C1CCCC(=O)C1)C(=O)OCC
Structure:
CAS RN: 17812-55-4
CAS Name: 7-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
OPENEYE Name: 7-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
IUPAC Name: 7-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SYSTEMATIC NAME: 7-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CC1CC2=C(CCC(=O)N2)C(=O)C1
Structure:
CAS RN: 39163-29-6
CAS Name: 1,4,5,6,7,7a-hexahydroinden-2-one
OPENEYE Name: 1,4,5,6,7,7a-hexahydroinden-2-one
IUPAC Name: 1,4,5,6,7,7a-hexahydroinden-2-one
SYSTEMATIC NAME: 1,4,5,6,7,7a-hexahydroinden-2-one
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: C1CCC2=CC(=O)CC2C1
Structure:
CAS RN: 1487-57-6
CAS Name: 5-methoxy-5-methyl-2-oxolanone
OPENEYE Name: 5-methoxy-5-methyl-tetrahydrofuran-2-one
IUPAC Name: 5-methoxy-5-methyloxolan-2-one
SYSTEMATIC NAME: 5-methoxy-5-methyl-oxolan-2-one
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: CC1(CCC(=O)O1)OC
Structure:
CAS RN: 57648-56-3
CAS Name: 3-diethoxyphosphoryl-4-oxopentanoic acid ethyl ester
OPENEYE Name: ethyl 3-diethoxyphosphoryl-4-oxo-pentanoate
IUPAC Name: ethyl 3-diethoxyphosphoryl-4-oxopentanoate
SYSTEMATIC NAME: ethyl 3-diethoxyphosphoryl-4-oxidanylidene-pentanoate
MOLECULAR FORMULA: C11H21O6P
MOLECULAR WEIGHT: 280.254601
SMILES: CCOC(=O)CC(C(=O)C)P(=O)(OCC)OCC
Structure:
CAS RN: 57654-92-9
CAS Name: 3-diethoxyphosphoryl-6-methyl-5-hepten-2-one
OPENEYE Name: 3-diethoxyphosphoryl-6-methyl-hept-5-en-2-one
IUPAC Name: 3-diethoxyphosphoryl-6-methylhept-5-en-2-one
SYSTEMATIC NAME: 3-diethoxyphosphoryl-6-methyl-hept-5-en-2-one
MOLECULAR FORMULA: C12H23O4P
MOLECULAR WEIGHT: 262.282381
SMILES: CCOP(=O)(C(CC=C(C)C)C(=O)C)OCC
Structure:
CAS RN: 36927-82-9
CAS Name: acetic acid (8a-methyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-1-yl) ester
OPENEYE Name: (8a-methyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-1-yl) acetate
IUPAC Name: (8a-methyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-1-yl) acetate
SYSTEMATIC NAME: (8a-methyl-6-oxidanylidene-1,2,3,4,7,8-hexahydronaphthalen-1-yl) ethanoate
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC(=O)OC1CCCC2=CC(=O)CCC12C
Structure:
CAS RN: 18012-57-2
CAS Name: 8,8a-dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
OPENEYE Name: 8,8a-dihydroxy-4a-methyl-decalin-2-carboxylic acid
IUPAC Name: 8,8a-dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 4a-methyl-8,8a-bis(oxidanyl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
MOLECULAR FORMULA: C12H20O4
MOLECULAR WEIGHT: 228.2848
SMILES: CC12CCCC(C1(CC(CC2)C(=O)O)O)O
Structure:
CAS RN: 597-02-4
CAS Name: 2,3-dihydroxy-2-methylpentanoic acid
OPENEYE Name: 2,3-dihydroxy-2-methyl-pentanoic acid
IUPAC Name: 2,3-dihydroxy-2-methylpentanoic acid
SYSTEMATIC NAME: 2-methyl-2,3-bis(oxidanyl)pentanoic acid
MOLECULAR FORMULA: C6H12O4
MOLECULAR WEIGHT: 148.15708
SMILES: CCC(C(C)(C(=O)O)O)O
Structure:
CAS RN: 37457-15-1
CAS Name: 2-methyl-3-(2-methylpropoxy)-1-cyclohex-2-enone
OPENEYE Name: 3-isobutoxy-2-methyl-cyclohex-2-en-1-one
IUPAC Name: 2-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one
SYSTEMATIC NAME: 2-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CC1=C(CCCC1=O)OCC(C)C
Structure:
CAS RN: 3859-35-6
CAS Name: 1-ethenyl-1-cyclopentanol
OPENEYE Name: 1-vinylcyclopentanol
IUPAC Name: 1-ethenylcyclopentan-1-ol
SYSTEMATIC NAME: 1-ethenylcyclopentan-1-ol
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: C=CC1(CCCC1)O
Structure:
CAS RN: 18230-00-7
CAS Name: 5-ethoxy-3-oxopentanoic acid methyl ester
OPENEYE Name: methyl 5-ethoxy-3-oxo-pentanoate
IUPAC Name: methyl 5-ethoxy-3-oxopentanoate
SYSTEMATIC NAME: methyl 5-ethoxy-3-oxidanylidene-pentanoate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CCOCCC(=O)CC(=O)OC
Structure:
CAS RN: 18862-77-6
CAS Name: (butylthio)-tris(tert-butylthio)silane
OPENEYE Name: butylsulfanyl-tris(tert-butylsulfanyl)silane
IUPAC Name: butylsulfanyl-tris(tert-butylsulfanyl)silane
SYSTEMATIC NAME: butylsulfanyl-tris(tert-butylsulfanyl)silane
MOLECULAR FORMULA: C16H36S4Si
MOLECULAR WEIGHT: 384.80254
SMILES: CCCCS[Si](SC(C)(C)C)(SC(C)(C)C)SC(C)(C)C
Structure:
CAS RN: 58977-08-5
CAS Name: 6,8,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
OPENEYE Name: 6,8,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
IUPAC Name: 6,8,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
SYSTEMATIC NAME: 6,8,11-tris(oxidanyl)-7,8,9,10-tetrahydrotetracene-5,12-dione
MOLECULAR FORMULA: C18H14O5
MOLECULAR WEIGHT: 310.30076
SMILES: C1CC2=C(C3=C(C(=C2CC1O)O)C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 63625-96-7
CAS Name: 2-(5,8-dimethoxy-3,4-dihydronaphthalen-2-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(5,8-dimethoxy-3,4-dihydronaphthalen-2-yl)acetate
IUPAC Name: ethyl 2-(5,8-dimethoxy-3,4-dihydronaphthalen-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-(5,8-dimethoxy-3,4-dihydronaphthalen-2-yl)ethanoate
MOLECULAR FORMULA: C16H20O4
MOLECULAR WEIGHT: 276.3276
SMILES: CCOC(=O)CC1=CC2=C(C=CC(=C2CC1)OC)OC
Structure:
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