CAS RN: 2008-77-7
CAS Name: 2-diazonio-1-acenaphthylenolate
OPENEYE Name: 2-diazonioacenaphthylen-1-olate
IUPAC Name: 2-diazonioacenaphthylen-1-olate
SYSTEMATIC NAME: 2-diazonioacenaphthylen-1-olate
MOLECULAR FORMULA: C12H6N2O
MOLECULAR WEIGHT: 194.18884
SMILES: C1=CC2=C3C(=C1)C(=C(C3=CC=C2)[O-])[N+]#N
Structure:
CAS RN: 172507-33-4
CAS Name: 4-(3-thiophenyl)benzonitrile
OPENEYE Name: 4-(3-thienyl)benzonitrile
IUPAC Name: 4-thiophen-3-ylbenzonitrile
SYSTEMATIC NAME: 4-thiophen-3-ylbenzenecarbonitrile
MOLECULAR FORMULA: C11H7NS
MOLECULAR WEIGHT: 185.24498
SMILES: C1=CC(=CC=C1C#N)C2=CSC=C2
Structure:
CAS RN: 20608-91-7
CAS Name: 4-(3-thiophenyl)benzoic acid methyl ester
OPENEYE Name: methyl 4-(3-thienyl)benzoate
IUPAC Name: methyl 4-thiophen-3-ylbenzoate
SYSTEMATIC NAME: methyl 4-thiophen-3-ylbenzoate
MOLECULAR FORMULA: C12H10O2S
MOLECULAR WEIGHT: 218.2716
SMILES: COC(=O)C1=CC=C(C=C1)C2=CSC=C2
Structure:
CAS RN: 10468-81-2
CAS Name: 1-(9-phenanthrenyl)-1-cyclohexanol
OPENEYE Name: 1-(9-phenanthryl)cyclohexanol
IUPAC Name: 1-phenanthren-9-ylcyclohexan-1-ol
SYSTEMATIC NAME: 1-phenanthren-9-ylcyclohexan-1-ol
MOLECULAR FORMULA: C20H20O
MOLECULAR WEIGHT: 276.3722
SMILES: C1CCC(CC1)(C2=CC3=CC=CC=C3C4=CC=CC=C42)O
Structure:
CAS RN: 108321-49-9
CAS Name: 9-hexadecenoic acid dodecyl ester
OPENEYE Name: dodecyl hexadec-9-enoate
IUPAC Name: dodecyl hexadec-9-enoate
SYSTEMATIC NAME: dodecyl hexadec-9-enoate
MOLECULAR FORMULA: C28H54O2
MOLECULAR WEIGHT: 422.72716
SMILES: CCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCC
Structure:
CAS RN: 69370-82-7
CAS Name: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H12N8O3
MOLECULAR WEIGHT: 292.25408
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)N=[N+]=[N-]
Structure:
CAS RN: 29411-71-0
CAS Name: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H12N8O3
MOLECULAR WEIGHT: 292.25408
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)N=[N+]=[N-]
Structure:
CAS RN: 58699-61-9
CAS Name: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H12N8O3
MOLECULAR WEIGHT: 292.25408
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)N=[N+]=[N-]
Structure:
CAS RN: 83918-76-7
CAS Name: acetic acid [1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinyl] ester
OPENEYE Name: [1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidyl] acetate
IUPAC Name: [1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate
SYSTEMATIC NAME: [1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperidin-4-yl] ethanoate
MOLECULAR FORMULA: C30H29ClF5NO2
MOLECULAR WEIGHT: 566.001776
SMILES: CC(=O)OC1(CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)Cl)C(F)(F)F
Structure:
CAS RN: 1611-03-6
CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
OPENEYE Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetate
IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
SYSTEMATIC NAME: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoate
MOLECULAR FORMULA: C16H23O3-
MOLECULAR WEIGHT: 263.35202
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)[O-]
Structure:
CAS RN: 88467-44-1
CAS Name: 4-[[1-[2-[[[1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[1-methyl-2-[2-[[1-methyl-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[1-[2-[[1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[1-[2-[[1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C25H30N4O8
MOLECULAR WEIGHT: 514.5277
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(C)NC(=O)CCC(=O)O
Structure:
CAS RN: 9004-54-0
CAS Name: 2,3,4,5-tetrahydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]hexanal
OPENEYE Name: 2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-hexanal
IUPAC Name: 2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
SYSTEMATIC NAME: 6-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,4,5-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C18H32O16
MOLECULAR WEIGHT: 504.43708
SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O)O)O)O
Structure:
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