CAS RN: 73346-74-4
CAS Name: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
OPENEYE Name: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
IUPAC Name: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C7H14O4
MOLECULAR WEIGHT: 162.18366
SMILES: CC1(OC(C(O1)CO)CO)C
Structure:
CAS RN: 25432-12-6
CAS Name: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
OPENEYE Name: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
IUPAC Name: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C7H14O4
MOLECULAR WEIGHT: 162.18366
SMILES: CC1(OC(C(O1)CO)CO)C
Structure:
CAS RN: 56437-59-3
CAS Name: 2-[1-(1-naphthalenyl)-3-oxo-1-isobenzofuranyl]acetic acid
OPENEYE Name: 2-[1-(1-naphthyl)-3-oxo-isobenzofuran-1-yl]acetic acid
IUPAC Name: 2-(1-naphthalen-1-yl-3-oxo-2-benzofuran-1-yl)acetic acid
SYSTEMATIC NAME: 2-(1-naphthalen-1-yl-3-oxidanylidene-2-benzofuran-1-yl)ethanoic acid
MOLECULAR FORMULA: C20H14O4
MOLECULAR WEIGHT: 318.32276
SMILES: C1=CC=C2C(=C1)C=CC=C2C3(C4=CC=CC=C4C(=O)O3)CC(=O)O
Structure:
CAS RN: 60224-29-5
CAS Name: 3a,9b-dihydrobenzo[e]isobenzofuran-1,3-dione
OPENEYE Name: 3a,9b-dihydrobenzo[e]isobenzofuran-1,3-dione
IUPAC Name: 3a,9b-dihydrobenzo[e][2]benzofuran-1,3-dione
SYSTEMATIC NAME: 3a,9b-dihydrobenzo[e][2]benzofuran-1,3-dione
MOLECULAR FORMULA: C12H8O3
MOLECULAR WEIGHT: 200.19012
SMILES: C1=CC=C2C3C(C=CC2=C1)C(=O)OC3=O
Structure:
CAS RN: 66606-46-0
CAS Name: 7-(ethoxycarbonylamino)-8-azaspiro[4.5]deca-1,3,9-triene-8-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7-(ethoxycarbonylamino)-8-azaspiro[4.5]deca-1,3,9-triene-8-carboxylate
IUPAC Name: ethyl 7-(ethoxycarbonylamino)-8-azaspiro[4.5]deca-1,3,9-triene-8-carboxylate
SYSTEMATIC NAME: ethyl 7-(ethoxycarbonylamino)-8-azaspiro[4.5]deca-1,3,9-triene-8-carboxylate
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: CCOC(=O)NC1CC2(C=CC=C2)C=CN1C(=O)OCC
Structure:
CAS RN: 31889-45-9
CAS Name: 4-(1-ethoxycarbonyl-4H-pyridin-4-yl)-4H-pyridine-1-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(1-ethoxycarbonyl-4H-pyridin-4-yl)-4H-pyridine-1-carboxylate
IUPAC Name: ethyl 4-(1-ethoxycarbonyl-4H-pyridin-4-yl)-4H-pyridine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-(1-ethoxycarbonyl-4H-pyridin-4-yl)-4H-pyridine-1-carboxylate
MOLECULAR FORMULA: C16H20N2O4
MOLECULAR WEIGHT: 304.341
SMILES: CCOC(=O)N1C=CC(C=C1)C2C=CN(C=C2)C(=O)OCC
Structure:
CAS RN: 51290-78-9
CAS Name: 4-(phenylmethylthio)pyridine
OPENEYE Name: 4-benzylsulfanylpyridine
IUPAC Name: 4-benzylsulfanylpyridine
SYSTEMATIC NAME: 4-(phenylmethylsulfanyl)pyridine
MOLECULAR FORMULA: C12H11NS
MOLECULAR WEIGHT: 201.28744
SMILES: C1=CC=C(C=C1)CSC2=CC=NC=C2
Structure:
CAS RN: 71190-51-7
CAS Name: 1-[4-(1-acetyl-4-pyridinylidene)-1-pyridinyl]ethanone
OPENEYE Name: 1-[4-(1-acetyl-4-pyridylidene)-1-pyridyl]ethanone
IUPAC Name: 1-[4-(1-acetylpyridin-4-ylidene)pyridin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-(1-ethanoylpyridin-4-ylidene)pyridin-1-yl]ethanone
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CC(=O)N1C=CC(=C2C=CN(C=C2)C(=O)C)C=C1
Structure:
CAS RN: 66606-48-2
CAS Name: 8-(ethoxycarbonylamino)-9-azaspiro[5.5]undec-10-ene-9-carboxylic acid ethyl ester
OPENEYE Name: ethyl 8-(ethoxycarbonylamino)-9-azaspiro[5.5]undec-10-ene-9-carboxylate
IUPAC Name: ethyl 8-(ethoxycarbonylamino)-9-azaspiro[5.5]undec-10-ene-9-carboxylate
SYSTEMATIC NAME: ethyl 8-(ethoxycarbonylamino)-9-azaspiro[5.5]undec-10-ene-9-carboxylate
MOLECULAR FORMULA: C16H26N2O4
MOLECULAR WEIGHT: 310.38864
SMILES: CCOC(=O)NC1CC2(CCCCC2)C=CN1C(=O)OCC
Structure:
CAS RN: 66606-50-6
CAS Name: 9-azaspiro[5.5]undeca-7,10-diene-9-carboxylic acid ethyl ester
OPENEYE Name: ethyl 9-azaspiro[5.5]undeca-7,10-diene-9-carboxylate
IUPAC Name: ethyl 9-azaspiro[5.5]undeca-7,10-diene-9-carboxylate
SYSTEMATIC NAME: ethyl 9-azaspiro[5.5]undeca-7,10-diene-9-carboxylate
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CCOC(=O)N1C=CC2(CCCCC2)C=C1
Structure:
CAS RN: 70197-71-6
CAS Name: 3-azaspiro[5.6]dodeca-1,4-diene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-azaspiro[5.6]dodeca-1,4-diene-3-carboxylate
IUPAC Name: ethyl 3-azaspiro[5.6]dodeca-1,4-diene-3-carboxylate
SYSTEMATIC NAME: ethyl 3-azaspiro[5.6]dodeca-1,4-diene-3-carboxylate
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CCOC(=O)N1C=CC2(CCCCCC2)C=C1
Structure:
CAS RN: 37778-33-9
CAS Name: 8-azaspiro[4.5]deca-6,9-diene-8-carboxylic acid ethyl ester
OPENEYE Name: ethyl 8-azaspiro[4.5]deca-6,9-diene-8-carboxylate
IUPAC Name: ethyl 8-azaspiro[4.5]deca-6,9-diene-8-carboxylate
SYSTEMATIC NAME: ethyl 8-azaspiro[4.5]deca-6,9-diene-8-carboxylate
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCOC(=O)N1C=CC2(CCCC2)C=C1
Structure:
CAS RN: 39190-51-7
CAS Name: spiro[4.4]nona-2,7-diene-4,9-dione
OPENEYE Name: spiro[4.4]nona-2,7-diene-4,9-dione
IUPAC Name: spiro[4.4]nona-2,7-diene-4,9-dione
SYSTEMATIC NAME: spiro[4.4]nona-2,7-diene-4,9-dione
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C1C=CC(=O)C12CC=CC2=O
Structure:
CAS RN: 19634-95-8
CAS Name: 5,6,7,8,8a,10-hexahydro-4bH-phenanthren-9-one
OPENEYE Name: 5,6,7,8,8a,10-hexahydro-4bH-phenanthren-9-one
IUPAC Name: 5,6,7,8,8a,10-hexahydro-4bH-phenanthren-9-one
SYSTEMATIC NAME: 5,6,7,8,8a,10-hexahydro-4bH-phenanthren-9-one
MOLECULAR FORMULA: C14H16O
MOLECULAR WEIGHT: 200.27624
SMILES: C1CCC2C(C1)C(=O)CC3=CC=CC=C23
Structure:
CAS RN: 90296-07-4
CAS Name: 2-(2,3-dimethoxyphenoxy)acetic acid
OPENEYE Name: 2-(2,3-dimethoxyphenoxy)acetic acid
IUPAC Name: 2-(2,3-dimethoxyphenoxy)acetic acid
SYSTEMATIC NAME: 2-(2,3-dimethoxyphenoxy)ethanoic acid
MOLECULAR FORMULA: C10H12O5
MOLECULAR WEIGHT: 212.19928
SMILES: COC1=C(C(=CC=C1)OCC(=O)O)OC
Structure:
CAS RN: 83602-77-1
CAS Name: 2-bromo-1-cyclododecanol
OPENEYE Name: 2-bromocyclododecanol
IUPAC Name: 2-bromocyclododecan-1-ol
SYSTEMATIC NAME: 2-bromanylcyclododecan-1-ol
MOLECULAR FORMULA: C12H23BrO
MOLECULAR WEIGHT: 263.21442
SMILES: C1CCCCCC(C(CCCC1)O)Br
Structure:
CAS RN: 64714-61-0
CAS Name: acetic acid (2,6-dibromocyclohexyl) ester
OPENEYE Name: (2,6-dibromocyclohexyl) acetate
IUPAC Name: (2,6-dibromocyclohexyl) acetate
SYSTEMATIC NAME: [2,6-bis(bromanyl)cyclohexyl] ethanoate
MOLECULAR FORMULA: C8H12Br2O2
MOLECULAR WEIGHT: 299.98768
SMILES: CC(=O)OC1C(CCCC1Br)Br
Structure:
CAS RN: 75732-46-6
CAS Name: 1-(2,2-dioxo-3-oxathiolanyl)-2-methyl-1-propanol
OPENEYE Name: 1-(2,2-dioxooxathiolan-3-yl)-2-methyl-propan-1-ol
IUPAC Name: 1-(2,2-dioxooxathiolan-3-yl)-2-methylpropan-1-ol
SYSTEMATIC NAME: 1-[2,2-bis(oxidanylidene)-1,2-oxathiolan-3-yl]-2-methyl-propan-1-ol
MOLECULAR FORMULA: C7H14O4S
MOLECULAR WEIGHT: 194.24866
SMILES: CC(C)C(C1CCOS1(=O)=O)O
Structure:
CAS RN: 56695-54-6
CAS Name: 2-(6-methylhept-5-en-2-ylidene)propanedinitrile
OPENEYE Name: 2-(1,5-dimethylhex-4-enylidene)propanedinitrile
IUPAC Name: 2-(6-methylhept-5-en-2-ylidene)propanedinitrile
SYSTEMATIC NAME: 2-(6-methylhept-5-en-2-ylidene)propanedinitrile
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: CC(=CCCC(=C(C#N)C#N)C)C
Structure:
CAS RN: 57197-01-0
CAS Name: 3,7-dimethyloctane-1,2,6-triol
OPENEYE Name: 3,7-dimethyloctane-1,2,6-triol
IUPAC Name: 3,7-dimethyloctane-1,2,6-triol
SYSTEMATIC NAME: 3,7-dimethyloctane-1,2,6-triol
MOLECULAR FORMULA: C10H22O3
MOLECULAR WEIGHT: 190.27988
SMILES: CC(C)C(CCC(C)C(CO)O)O
Structure:
CAS RN: 40853-36-9
CAS Name: acetic acid (3,4-diacetyloxy-2,5-dimethylphenyl) ester
OPENEYE Name: (3,4-diacetoxy-2,5-dimethyl-phenyl) acetate
IUPAC Name: (3,4-diacetyloxy-2,5-dimethylphenyl) acetate
SYSTEMATIC NAME: (3,4-diacetyloxy-2,5-dimethyl-phenyl) ethanoate
MOLECULAR FORMULA: C14H16O6
MOLECULAR WEIGHT: 280.27324
SMILES: CC1=CC(=C(C(=C1OC(=O)C)OC(=O)C)C)OC(=O)C
Structure:
CAS RN: 2654-72-0
CAS Name: 2,5-dihydroxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-dihydroxy-3,6-dimethyl-1,4-benzoquinone
IUPAC Name: 2,5-dihydroxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-dimethyl-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: CC1=C(C(=O)C(=C(C1=O)O)C)O
Structure:
CAS RN: 18477-17-3
CAS Name: acetic acid (3,4-diacetyloxy-2,5,6-trimethylphenyl) ester
OPENEYE Name: (3,4-diacetoxy-2,5,6-trimethyl-phenyl) acetate
IUPAC Name: (3,4-diacetyloxy-2,5,6-trimethylphenyl) acetate
SYSTEMATIC NAME: (3,4-diacetyloxy-2,5,6-trimethyl-phenyl) ethanoate
MOLECULAR FORMULA: C15H18O6
MOLECULAR WEIGHT: 294.29982
SMILES: CC1=C(C(=C(C(=C1OC(=O)C)C)OC(=O)C)OC(=O)C)C
Structure:
CAS RN: 51755-69-2
CAS Name: 3-(ethylthio)hexanal
OPENEYE Name: 3-ethylsulfanylhexanal
IUPAC Name: 3-ethylsulfanylhexanal
SYSTEMATIC NAME: 3-ethylsulfanylhexanal
MOLECULAR FORMULA: C8H16OS
MOLECULAR WEIGHT: 160.27704
SMILES: CCCC(CC=O)SCC
Structure:
CAS RN: 347-84-2
CAS Name: 1-(4-fluorophenyl)-2-phenylethanone
OPENEYE Name: 1-(4-fluorophenyl)-2-phenyl-ethanone
IUPAC Name: 1-(4-fluorophenyl)-2-phenylethanone
SYSTEMATIC NAME: 1-(4-fluorophenyl)-2-phenyl-ethanone
MOLECULAR FORMULA: C14H11FO
MOLECULAR WEIGHT: 214.234943
SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)F
Structure:
CAS RN: 61062-55-3
CAS Name: 2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanone
OPENEYE Name: 2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanone
IUPAC Name: 2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanone
SYSTEMATIC NAME: 2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanone
MOLECULAR FORMULA: C15H11F3O
MOLECULAR WEIGHT: 264.24245
SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 69497-44-5
CAS Name: N-[chloro-(4-chlorophenoxy)phosphoryl]aniline
OPENEYE Name: N-[chloro-(4-chlorophenoxy)phosphoryl]aniline
IUPAC Name: N-[chloro-(4-chlorophenoxy)phosphoryl]aniline
SYSTEMATIC NAME: N-[chloranyl-(4-chloranylphenoxy)phosphoryl]aniline
MOLECULAR FORMULA: C12H10Cl2NO2P
MOLECULAR WEIGHT: 302.093061
SMILES: C1=CC=C(C=C1)NP(=O)(OC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 51833-66-0
CAS Name: N-(1-naphthalenyl)carbamic acid [3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl N-(1-naphthyl)carbamate
IUPAC Name: [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-naphthalen-1-ylcarbamate
SYSTEMATIC NAME: [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl N-naphthalen-1-ylcarbamate
MOLECULAR FORMULA: C21H21N3O6
MOLECULAR WEIGHT: 411.40794
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)NC3=CC=CC4=CC=CC=C43)O
Structure:
CAS RN: 833-28-3
CAS Name: 2-acetyloxy-1-cyclohex-3-enecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-acetoxycyclohex-3-ene-1-carboxylate
IUPAC Name: ethyl 2-acetyloxycyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: ethyl 2-acetyloxycyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C11H16O4
MOLECULAR WEIGHT: 212.24234
SMILES: CCOC(=O)C1CCC=CC1OC(=O)C
Structure:
CAS RN: 38378-71-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: C1CC2C3=C(C=CC=C3C1C4=CC=CC(=C24)C(=O)O)C(=O)O
Structure:
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