CAS RN: 17553-35-4
CAS Name: 2,2,5,5,6,6,9,9-octamethyldeca-3,7-diyne
OPENEYE Name: 2,2,5,5,6,6,9,9-octamethyldeca-3,7-diyne
IUPAC Name: 2,2,5,5,6,6,9,9-octamethyldeca-3,7-diyne
SYSTEMATIC NAME: 2,2,5,5,6,6,9,9-octamethyldeca-3,7-diyne
MOLECULAR FORMULA: C18H30
MOLECULAR WEIGHT: 246.4308
SMILES: CC(C)(C)C#CC(C)(C)C(C)(C)C#CC(C)(C)C
Structure:
CAS RN: 39070-92-3
CAS Name: (4-methoxyphenyl)-(1-naphthalenyl)methanone
OPENEYE Name: (4-methoxyphenyl)-(1-naphthyl)methanone
IUPAC Name: (4-methoxyphenyl)-naphthalen-1-ylmethanone
SYSTEMATIC NAME: (4-methoxyphenyl)-naphthalen-1-yl-methanone
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 3799-82-4
CAS Name: 1-benzoyl-7-fluoro-2-naphthalenecarboxylic acid
OPENEYE Name: 1-benzoyl-7-fluoro-naphthalene-2-carboxylic acid
IUPAC Name: 1-benzoyl-7-fluoronaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 7-fluoranyl-1-(phenylcarbonyl)naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C18H11FO3
MOLECULAR WEIGHT: 294.276543
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC3=C2C=C(C=C3)F)C(=O)O
Structure:
CAS RN: 388-68-1
CAS Name: 5-fluorobenzo[a]anthracene
OPENEYE Name: 5-fluorobenzo[a]anthracene
IUPAC Name: 5-fluorobenzo[a]anthracene
SYSTEMATIC NAME: 5-fluoranylbenzo[a]anthracene
MOLECULAR FORMULA: C18H11F
MOLECULAR WEIGHT: 246.278343
SMILES: C1=CC=C2C=C3C4=CC=CC=C4C(=CC3=CC2=C1)F
Structure:
CAS RN: 1543-56-2
CAS Name: (4-fluorophenyl)-(2-naphthalenyl)methanone
OPENEYE Name: (4-fluorophenyl)-(2-naphthyl)methanone
IUPAC Name: (4-fluorophenyl)-naphthalen-2-ylmethanone
SYSTEMATIC NAME: (4-fluorophenyl)-naphthalen-2-yl-methanone
MOLECULAR FORMULA: C17H11FO
MOLECULAR WEIGHT: 250.267043
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC=C(C=C3)F
Structure:
CAS RN: 54532-12-6
CAS Name: N-[(4-tert-butylcyclohexylidene)amino]-2,4-dinitroaniline
OPENEYE Name: N-[(4-tert-butylcyclohexylidene)amino]-2,4-dinitro-aniline
IUPAC Name: N-[(4-tert-butylcyclohexylidene)amino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(4-tert-butylcyclohexylidene)amino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C16H22N4O4
MOLECULAR WEIGHT: 334.37028
SMILES: CC(C)(C)C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC1
Structure:
CAS RN: 59748-99-1
CAS Name: 4,5-dimethyl-10H-acridin-9-one
OPENEYE Name: 4,5-dimethyl-10H-acridin-9-one
IUPAC Name: 4,5-dimethyl-10H-acridin-9-one
SYSTEMATIC NAME: 4,5-dimethyl-10H-acridin-9-one
MOLECULAR FORMULA: C15H13NO
MOLECULAR WEIGHT: 223.26982
SMILES: CC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C
Structure:
CAS RN: 92551-75-2
CAS Name: 1-methyl-4-phenyl-2-(2,2,2-trichloroethyl)benzene
OPENEYE Name: 1-methyl-4-phenyl-2-(2,2,2-trichloroethyl)benzene
IUPAC Name: 1-methyl-4-phenyl-2-(2,2,2-trichloroethyl)benzene
SYSTEMATIC NAME: 1-methyl-4-phenyl-2-[2,2,2-tris(chloranyl)ethyl]benzene
MOLECULAR FORMULA: C15H13Cl3
MOLECULAR WEIGHT: 299.62272
SMILES: CC1=C(C=C(C=C1)C2=CC=CC=C2)CC(Cl)(Cl)Cl
Structure:
CAS RN: 92429-33-9
CAS Name: 3,6-dichloro-4-(2-hydroxyphenoxy)-1-benzopyran-2-one
OPENEYE Name: 3,6-dichloro-4-(2-hydroxyphenoxy)chromen-2-one
IUPAC Name: 3,6-dichloro-4-(2-hydroxyphenoxy)chromen-2-one
SYSTEMATIC NAME: 3,6-bis(chloranyl)-4-(2-oxidanylphenoxy)chromen-2-one
MOLECULAR FORMULA: C15H8Cl2O4
MOLECULAR WEIGHT: 323.12762
SMILES: C1=CC=C(C(=C1)O)OC2=C(C(=O)OC3=C2C=C(C=C3)Cl)Cl
Structure:
CAS RN: 2840-35-9
CAS Name: 2-methyl-5-phenylbenzoic acid
OPENEYE Name: 2-methyl-5-phenyl-benzoic acid
IUPAC Name: 2-methyl-5-phenylbenzoic acid
SYSTEMATIC NAME: 2-methyl-5-phenyl-benzoic acid
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: CC1=C(C=C(C=C1)C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 92153-14-5
CAS Name: (2,4-dichlorophenyl)-(2-hydroxy-5-methylphenyl)methanone
OPENEYE Name: (2,4-dichlorophenyl)-(2-hydroxy-5-methyl-phenyl)methanone
IUPAC Name: (2,4-dichlorophenyl)-(2-hydroxy-5-methylphenyl)methanone
SYSTEMATIC NAME: (2,4-dichlorophenyl)-(5-methyl-2-oxidanyl-phenyl)methanone
MOLECULAR FORMULA: C14H10Cl2O2
MOLECULAR WEIGHT: 281.134
SMILES: CC1=CC(=C(C=C1)O)C(=O)C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 37884-02-9
CAS Name: 6-chloro-2-methyl-9-xanthenone
OPENEYE Name: 6-chloro-2-methyl-xanthen-9-one
IUPAC Name: 6-chloro-2-methylxanthen-9-one
SYSTEMATIC NAME: 6-chloranyl-2-methyl-xanthen-9-one
MOLECULAR FORMULA: C14H9ClO2
MOLECULAR WEIGHT: 244.67306
SMILES: CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)Cl
Structure:
CAS RN: 955-16-8
CAS Name: 5-phenylisobenzofuran-1,3-dione
OPENEYE Name: 5-phenylisobenzofuran-1,3-dione
IUPAC Name: 5-phenyl-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 5-phenyl-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C14H8O3
MOLECULAR WEIGHT: 224.21152
SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)OC3=O
Structure:
CAS RN: 41867-44-1
CAS Name: 5-ethenyl-5-hydroxy-4a-methyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one
OPENEYE Name: 5-hydroxy-4a-methyl-5-vinyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one
IUPAC Name: 5-ethenyl-5-hydroxy-4a-methyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one
SYSTEMATIC NAME: 5-ethenyl-4a-methyl-5-oxidanyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC12CCC(=O)C=C1CCCC2(C=C)O
Structure:
CAS RN: 6816-50-8
CAS Name: 5-acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
OPENEYE Name: 5-acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
IUPAC Name: 5-acetyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
SYSTEMATIC NAME: 5-ethanoyl-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CC(=O)C1CC=CC2=CC(=O)CCC12C
Structure:
CAS RN: 91911-79-4
CAS Name: 6-chloro-3,4-bis(2-hydroxyethylamino)-1-benzopyran-2-one
OPENEYE Name: 6-chloro-3,4-bis(2-hydroxyethylamino)chromen-2-one
IUPAC Name: 6-chloro-3,4-bis(2-hydroxyethylamino)chromen-2-one
SYSTEMATIC NAME: 6-chloranyl-3,4-bis(2-hydroxyethylamino)chromen-2-one
MOLECULAR FORMULA: C13H15ClN2O4
MOLECULAR WEIGHT: 298.7222
SMILES: C1=CC2=C(C=C1Cl)C(=C(C(=O)O2)NCCO)NCCO
Structure:
CAS RN: 35283-01-3
CAS Name: 2,3-dibromo-3-(3-nitrophenyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 2,3-dibromo-3-(3-nitrophenyl)propanoate
IUPAC Name: ethyl 2,3-dibromo-3-(3-nitrophenyl)propanoate
SYSTEMATIC NAME: ethyl 2,3-bis(bromanyl)-3-(3-nitrophenyl)propanoate
MOLECULAR FORMULA: C11H11Br2NO4
MOLECULAR WEIGHT: 381.01734
SMILES: CCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])Br)Br
Structure:
CAS RN: 35283-00-2
CAS Name: 2,3-dibromo-3-(2-nitrophenyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 2,3-dibromo-3-(2-nitrophenyl)propanoate
IUPAC Name: ethyl 2,3-dibromo-3-(2-nitrophenyl)propanoate
SYSTEMATIC NAME: ethyl 2,3-bis(bromanyl)-3-(2-nitrophenyl)propanoate
MOLECULAR FORMULA: C11H11Br2NO4
MOLECULAR WEIGHT: 381.01734
SMILES: CCOC(=O)C(C(C1=CC=CC=C1[N+](=O)[O-])Br)Br
Structure:
CAS RN: 28048-29-5
CAS Name: 3-(2-nitrophenyl)-2-propynoic acid ethyl ester
OPENEYE Name: ethyl 3-(2-nitrophenyl)prop-2-ynoate
IUPAC Name: ethyl 3-(2-nitrophenyl)prop-2-ynoate
SYSTEMATIC NAME: ethyl 3-(2-nitrophenyl)prop-2-ynoate
MOLECULAR FORMULA: C11H9NO4
MOLECULAR WEIGHT: 219.19346
SMILES: CCOC(=O)C#CC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 91064-22-1
CAS Name: 3,6-dichloro-4-(2-hydroxyethylamino)-1-benzopyran-2-one
OPENEYE Name: 3,6-dichloro-4-(2-hydroxyethylamino)chromen-2-one
IUPAC Name: 3,6-dichloro-4-(2-hydroxyethylamino)chromen-2-one
SYSTEMATIC NAME: 3,6-bis(chloranyl)-4-(2-hydroxyethylamino)chromen-2-one
MOLECULAR FORMULA: C11H9Cl2NO3
MOLECULAR WEIGHT: 274.10006
SMILES: C1=CC2=C(C=C1Cl)C(=C(C(=O)O2)Cl)NCCO
Structure:
CAS RN: 91182-90-0
CAS Name: 9-chloro-2,3-dihydro-1H-[1]benzopyrano[3,4-b][1,4]oxazin-5-one
OPENEYE Name: 9-chloro-2,3-dihydro-1H-chromeno[3,4-b][1,4]oxazin-5-one
IUPAC Name: 9-chloro-2,3-dihydro-1H-chromeno[3,4-b][1,4]oxazin-5-one
SYSTEMATIC NAME: 9-chloranyl-2,3-dihydro-1H-chromeno[3,4-b][1,4]oxazin-5-one
MOLECULAR FORMULA: C11H8ClNO3
MOLECULAR WEIGHT: 237.63912
SMILES: C1COC2=C(N1)C3=C(C=CC(=C3)Cl)OC2=O
Structure:
CAS RN: 7003-18-1
CAS Name: 9-chloro-2,3-dihydro-[1,4]dioxino[2,3-c][1]benzopyran-5-one
OPENEYE Name: 9-chloro-2,3-dihydro-[1,4]dioxino[2,3-c]chromen-5-one
IUPAC Name: 9-chloro-2,3-dihydro-[1,4]dioxino[2,3-c]chromen-5-one
SYSTEMATIC NAME: 9-chloranyl-2,3-dihydro-[1,4]dioxino[2,3-c]chromen-5-one
MOLECULAR FORMULA: C11H7ClO4
MOLECULAR WEIGHT: 238.62388
SMILES: C1COC2=C(O1)C3=C(C=CC(=C3)Cl)OC2=O
Structure:
CAS RN: 52916-85-5
CAS Name: 2,3-dibromo-3-(3-methoxyphenyl)propanoic acid
OPENEYE Name: 2,3-dibromo-3-(3-methoxyphenyl)propanoic acid
IUPAC Name: 2,3-dibromo-3-(3-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: 2,3-bis(bromanyl)-3-(3-methoxyphenyl)propanoic acid
MOLECULAR FORMULA: C10H10Br2O3
MOLECULAR WEIGHT: 337.9926
SMILES: COC1=CC=CC(=C1)C(C(C(=O)O)Br)Br
Structure:
CAS RN: 90772-66-0
CAS Name: 2-bromo-3-(4-methoxyphenyl)-2-propenoic acid
OPENEYE Name: 2-bromo-3-(4-methoxyphenyl)prop-2-enoic acid
IUPAC Name: 2-bromo-3-(4-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: 2-bromanyl-3-(4-methoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H9BrO3
MOLECULAR WEIGHT: 257.08066
SMILES: COC1=CC=C(C=C1)C=C(C(=O)O)Br
Structure:
CAS RN: 7342-00-9
CAS Name: 3-(2-methoxyphenyl)-2-propynoic acid
OPENEYE Name: 3-(2-methoxyphenyl)prop-2-ynoic acid
IUPAC Name: 3-(2-methoxyphenyl)prop-2-ynoic acid
SYSTEMATIC NAME: 3-(2-methoxyphenyl)prop-2-ynoic acid
MOLECULAR FORMULA: C10H8O3
MOLECULAR WEIGHT: 176.16872
SMILES: COC1=CC=CC=C1C#CC(=O)O
Structure:
CAS RN: 5962-82-3
CAS Name: [3,5-bis(hydroxymethyl)cyclohexyl]methanol
OPENEYE Name: [3,5-bis(hydroxymethyl)cyclohexyl]methanol
IUPAC Name: [3,5-bis(hydroxymethyl)cyclohexyl]methanol
SYSTEMATIC NAME: [3,5-bis(hydroxymethyl)cyclohexyl]methanol
MOLECULAR FORMULA: C9H18O3
MOLECULAR WEIGHT: 174.23742
SMILES: C1C(CC(CC1CO)CO)CO
Structure:
CAS RN: 90642-81-2
CAS Name: 2-amino-2-phenyl-1-propanol
OPENEYE Name: 2-amino-2-phenyl-propan-1-ol
IUPAC Name: 2-amino-2-phenylpropan-1-ol
SYSTEMATIC NAME: 2-azanyl-2-phenyl-propan-1-ol
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CC(CO)(C1=CC=CC=C1)N
Structure:
CAS RN: 25357-95-3
CAS Name: cyclohexane-1,3,5-tricarboxylic acid
OPENEYE Name: cyclohexane-1,3,5-tricarboxylic acid
IUPAC Name: cyclohexane-1,3,5-tricarboxylic acid
SYSTEMATIC NAME: cyclohexane-1,3,5-tricarboxylic acid
MOLECULAR FORMULA: C9H12O6
MOLECULAR WEIGHT: 216.18798
SMILES: C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 16526-68-4
CAS Name: cyclohexane-1,3,5-tricarboxylic acid
OPENEYE Name: cyclohexane-1,3,5-tricarboxylic acid
IUPAC Name: cyclohexane-1,3,5-tricarboxylic acid
SYSTEMATIC NAME: cyclohexane-1,3,5-tricarboxylic acid
MOLECULAR FORMULA: C9H12O6
MOLECULAR WEIGHT: 216.18798
SMILES: C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 4717-64-0
CAS Name: 5,6-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-one
OPENEYE Name: 5,6-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-one
IUPAC Name: 5,6-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-one
SYSTEMATIC NAME: 5,6-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-one
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: CC1=C(CC2C(C1)OC(=O)O2)C
Structure:
CAS RN: 7480-32-2
CAS Name: 4-phenyl-2-oxazolidinone
OPENEYE Name: 4-phenyloxazolidin-2-one
IUPAC Name: 4-phenyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 4-phenyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1C(NC(=O)O1)C2=CC=CC=C2
Structure:
CAS RN: 5613-24-1
CAS Name: 6-chloro-2,3-dimethylbenzoic acid
OPENEYE Name: 6-chloro-2,3-dimethyl-benzoic acid
IUPAC Name: 6-chloro-2,3-dimethylbenzoic acid
SYSTEMATIC NAME: 6-chloranyl-2,3-dimethyl-benzoic acid
MOLECULAR FORMULA: C9H9ClO2
MOLECULAR WEIGHT: 184.61956
SMILES: CC1=C(C(=C(C=C1)Cl)C(=O)O)C
Structure:
CAS RN: 81467-34-7
CAS Name: 2-oxa-4-azaspiro[4.5]decan-3-one
OPENEYE Name: 2-oxa-4-azaspiro[4.5]decan-3-one
IUPAC Name: 2-oxa-4-azaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 2-oxa-4-azaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: C1CCC2(CC1)COC(=O)N2
Structure:
CAS RN: 25326-19-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: C1C2C=CC1C3C2OC(=O)O3
Structure:
CAS RN: 18964-65-3
CAS Name: 2,6-dichloro-4-methyl-4-(trichloromethyl)-1-cyclohexa-2,5-dienol
OPENEYE Name: 2,6-dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol
IUPAC Name: 2,6-dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol
MOLECULAR FORMULA: C8H7Cl5O
MOLECULAR WEIGHT: 296.40558
SMILES: CC1(C=C(C(C(=C1)Cl)O)Cl)C(Cl)(Cl)Cl
Structure:
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