CAS RN: 94849-98-6
CAS Name: 1-[3-(1-hydroxyethyl)-2,4,5,6-tetramethylphenyl]ethanol
OPENEYE Name: 1-[3-(1-hydroxyethyl)-2,4,5,6-tetramethyl-phenyl]ethanol
IUPAC Name: 1-[3-(1-hydroxyethyl)-2,4,5,6-tetramethylphenyl]ethanol
SYSTEMATIC NAME: 1-[3-(1-hydroxyethyl)-2,4,5,6-tetramethyl-phenyl]ethanol
MOLECULAR FORMULA: C14H22O2
MOLECULAR WEIGHT: 222.32328
SMILES: CC1=C(C(=C(C(=C1C)C(C)O)C)C(C)O)C
Structure:
CAS RN: 2142-79-2
CAS Name: 1-(2,3,5,6-tetramethylphenyl)ethanone
OPENEYE Name: 1-(2,3,5,6-tetramethylphenyl)ethanone
IUPAC Name: 1-(2,3,5,6-tetramethylphenyl)ethanone
SYSTEMATIC NAME: 1-(2,3,5,6-tetramethylphenyl)ethanone
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: CC1=CC(=C(C(=C1C)C(=O)C)C)C
Structure:
CAS RN: 91330-22-2
CAS Name: 6-[(2-iodo-1-oxoethyl)amino]-2-oxo-1-benzopyran-3-carboxylic acid
OPENEYE Name: 6-[(2-iodoacetyl)amino]-2-oxo-chromene-3-carboxylic acid
IUPAC Name: 6-[(2-iodoacetyl)amino]-2-oxochromene-3-carboxylic acid
SYSTEMATIC NAME: 6-(2-iodanylethanoylamino)-2-oxidanylidene-chromene-3-carboxylic acid
MOLECULAR FORMULA: C12H8INO5
MOLECULAR WEIGHT: 373.10009
SMILES: C1=CC2=C(C=C1NC(=O)CI)C=C(C(=O)O2)C(=O)O
Structure:
CAS RN: 82222-85-3
CAS Name: 5-(6-aminopurin-9-yl)pentanenitrile
OPENEYE Name: 5-(6-aminopurin-9-yl)pentanenitrile
IUPAC Name: 5-(6-aminopurin-9-yl)pentanenitrile
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)pentanenitrile
MOLECULAR FORMULA: C10H12N6
MOLECULAR WEIGHT: 216.24248
SMILES: C1=NC2=C(C(=N1)N)N=CN2CCCCC#N
Structure:
CAS RN: 10242-15-6
CAS Name: 6-nitro-2-oxo-1-benzopyran-3-carboxylic acid
OPENEYE Name: 6-nitro-2-oxo-chromene-3-carboxylic acid
IUPAC Name: 6-nitro-2-oxochromene-3-carboxylic acid
SYSTEMATIC NAME: 6-nitro-2-oxidanylidene-chromene-3-carboxylic acid
MOLECULAR FORMULA: C10H5NO6
MOLECULAR WEIGHT: 235.1498
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C(=O)O
Structure:
CAS RN: 73735-36-1
CAS Name: acetic acid [2-(2-chlorophenyl)-1,3-dioxolan-4-yl]methyl ester
OPENEYE Name: [2-(2-chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate
IUPAC Name: [2-(2-chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate
SYSTEMATIC NAME: [2-(2-chlorophenyl)-1,3-dioxolan-4-yl]methyl ethanoate
MOLECULAR FORMULA: C12H13ClO4
MOLECULAR WEIGHT: 256.68222
SMILES: CC(=O)OCC1COC(O1)C2=CC=CC=C2Cl
Structure:
CAS RN: 63906-57-0
CAS Name: 1-[(E)-but-2-enyl]-3,7-dimethylpurine-2,6-dione
OPENEYE Name: 1-[(E)-but-2-enyl]-3,7-dimethyl-purine-2,6-dione
IUPAC Name: 1-[(E)-but-2-enyl]-3,7-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 1-[(E)-but-2-enyl]-3,7-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C11H14N4O2
MOLECULAR WEIGHT: 234.25446
SMILES: C/C=C/CN1C(=O)C2=C(N=CN2C)N(C1=O)C
Structure:
CAS RN: 18779-88-9
CAS Name: N-(3-methylphenyl)carbamic acid (propan-2-ylideneamino) ester
OPENEYE Name: (isopropylideneamino) N-(m-tolyl)carbamate
IUPAC Name: (propan-2-ylideneamino) N-(3-methylphenyl)carbamate
SYSTEMATIC NAME: (propan-2-ylideneamino) N-(3-methylphenyl)carbamate
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: CC1=CC(=CC=C1)NC(=O)ON=C(C)C
Structure:
CAS RN: 217-68-5
CAS Name: phenanthro[9,10-b]pyrazine
OPENEYE Name: phenanthro[9,10-b]pyrazine
IUPAC Name: phenanthro[9,10-b]pyrazine
SYSTEMATIC NAME: phenanthro[9,10-b]pyrazine
MOLECULAR FORMULA: C16H10N2
MOLECULAR WEIGHT: 230.264
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=NC=CN=C24
Structure:
CAS RN: 71830-03-0
CAS Name: 1-(5-acetyl-2-methoxy-4,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphospholan-4-yl)ethanone
OPENEYE Name: 1-(5-acetyl-2-methoxy-4,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphospholan-4-yl)ethanone
IUPAC Name: 1-(5-acetyl-2-methoxy-4,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphospholan-4-yl)ethanone
SYSTEMATIC NAME: 1-(5-ethanoyl-2-methoxy-4,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphospholan-4-yl)ethanone
MOLECULAR FORMULA: C9H15O6P
MOLECULAR WEIGHT: 250.185561
SMILES: CC(=O)C1(C(OP(=O)(O1)OC)(C)C(=O)C)C
Structure:
CAS RN: 19147-10-5
CAS Name: phosphoric acid dimethyl 3-oxobutan-2-yl ester
OPENEYE Name: dimethyl (1-methyl-2-oxo-propyl) phosphate
IUPAC Name: dimethyl 3-oxobutan-2-yl phosphate
SYSTEMATIC NAME: dimethyl 3-oxidanylidenebutan-2-yl phosphate
MOLECULAR FORMULA: C6H13O5P
MOLECULAR WEIGHT: 196.138181
SMILES: CC(C(=O)C)OP(=O)(OC)OC
Structure:
CAS RN: 7400-23-9
CAS Name: 2-(thiophen-2-ylthio)acetic acid
OPENEYE Name: 2-(2-thienylsulfanyl)acetic acid
IUPAC Name: 2-thiophen-2-ylsulfanylacetic acid
SYSTEMATIC NAME: 2-thiophen-2-ylsulfanylethanoic acid
MOLECULAR FORMULA: C6H6O2S2
MOLECULAR WEIGHT: 174.24064
SMILES: C1=CSC(=C1)SCC(=O)O
Structure:
CAS RN: 42342-68-7
CAS Name: 3,3-dimethylbutane-2,2-dithiol
OPENEYE Name: 3,3-dimethylbutane-2,2-dithiol
IUPAC Name: 3,3-dimethylbutane-2,2-dithiol
SYSTEMATIC NAME: 3,3-dimethylbutane-2,2-dithiol
MOLECULAR FORMULA: C6H14S2
MOLECULAR WEIGHT: 150.30536
SMILES: CC(C)(C)C(C)(S)S
Structure:
CAS RN: 696-41-3
CAS Name: 3-iodobenzaldehyde
OPENEYE Name: 3-iodobenzaldehyde
IUPAC Name: 3-iodobenzaldehyde
SYSTEMATIC NAME: 3-iodanylbenzaldehyde
MOLECULAR FORMULA: C7H5IO
MOLECULAR WEIGHT: 232.01847
SMILES: C1=CC(=CC(=C1)I)C=O
Structure:
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