CAS RN: 4361-85-7
CAS Name: 1-oxo-2-benzothiopyran-3-carboxylic acid
OPENEYE Name: 1-oxoisothiochromene-3-carboxylic acid
IUPAC Name: 1-oxoisothiochromene-3-carboxylic acid
SYSTEMATIC NAME: 1-oxidanylideneisothiochromene-3-carboxylic acid
MOLECULAR FORMULA: C10H6O3S
MOLECULAR WEIGHT: 206.21784
SMILES: C1=CC=C2C(=C1)C=C(SC2=O)C(=O)O
Structure:
CAS RN: 3775-05-1
CAS Name: 3-formyl-2-hydroxybenzoic acid methyl ester
OPENEYE Name: methyl 3-formyl-2-hydroxy-benzoate
IUPAC Name: methyl 3-formyl-2-hydroxybenzoate
SYSTEMATIC NAME: methyl 3-methanoyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: COC(=O)C1=CC=CC(=C1O)C=O
Structure:
CAS RN: 93610-16-3
CAS Name: 2-hydroxy-3-(hydroxymethyl)benzoic acid
OPENEYE Name: 2-hydroxy-3-(hydroxymethyl)benzoic acid
IUPAC Name: 2-hydroxy-3-(hydroxymethyl)benzoic acid
SYSTEMATIC NAME: 3-(hydroxymethyl)-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: C1=CC(=C(C(=C1)CO)O)C(=O)O
Structure:
CAS RN: 3328-69-6
CAS Name: 2-hydroxybenzene-1,3-dicarboxaldehyde
OPENEYE Name: 2-hydroxybenzene-1,3-dicarbaldehyde
IUPAC Name: 2-hydroxybenzene-1,3-dicarbaldehyde
SYSTEMATIC NAME: 2-oxidanylbenzene-1,3-dicarbaldehyde
MOLECULAR FORMULA: C8H6O3
MOLECULAR WEIGHT: 150.13144
SMILES: C1=CC(=C(C(=C1)C=O)O)C=O
Structure:
CAS RN: 62551-42-2
CAS Name: 2-(dibromomethyl)benzoic acid
OPENEYE Name: 2-(dibromomethyl)benzoic acid
IUPAC Name: 2-(dibromomethyl)benzoic acid
SYSTEMATIC NAME: 2-[bis(bromanyl)methyl]benzoic acid
MOLECULAR FORMULA: C8H6Br2O2
MOLECULAR WEIGHT: 293.94004
SMILES: C1=CC=C(C(=C1)C(Br)Br)C(=O)O
Structure:
CAS RN: 536-20-9
CAS Name: pyridine-2,4,6-tricarboxylic acid
OPENEYE Name: pyridine-2,4,6-tricarboxylic acid
IUPAC Name: pyridine-2,4,6-tricarboxylic acid
SYSTEMATIC NAME: pyridine-2,4,6-tricarboxylic acid
MOLECULAR FORMULA: C8H5NO6
MOLECULAR WEIGHT: 211.1284
SMILES: C1=C(C=C(N=C1C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 17395-99-2
CAS Name: 4-aminoisobenzofuran-1,3-dione
OPENEYE Name: 4-aminoisobenzofuran-1,3-dione
IUPAC Name: 4-amino-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-azanyl-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C8H5NO3
MOLECULAR WEIGHT: 163.1302
SMILES: C1=CC2=C(C(=C1)N)C(=O)OC2=O
Structure:
CAS RN: 7405-25-6
CAS Name: 4-nitro-2,3-dihydro-1$l^{6}-benzothiepin 1,1-dioxide
OPENEYE Name: 4-nitro-2,3-dihydro-1$l^{6}-benzothiepine 1,1-dioxide
IUPAC Name: 4-nitro-2,3-dihydro-1$l^{6}-benzothiepine 1,1-dioxide
SYSTEMATIC NAME: 4-nitro-2,3-dihydro-1$l^{6}-benzothiepine 1,1-dioxide
MOLECULAR FORMULA: C10H9NO4S
MOLECULAR WEIGHT: 239.24776
SMILES: C1CS(=O)(=O)C2=CC=CC=C2C=C1[N+](=O)[O-]
Structure:
CAS RN: 7405-24-5
CAS Name: 3-(dimethylamino)-2,2-dimethylpropanal oxime
OPENEYE Name: 3-(dimethylamino)-2,2-dimethyl-propanal oxime
IUPAC Name: N-[3-(dimethylamino)-2,2-dimethylpropylidene]hydroxylamine
SYSTEMATIC NAME: N-[3-(dimethylamino)-2,2-dimethyl-propylidene]hydroxylamine
MOLECULAR FORMULA: C7H16N2O
MOLECULAR WEIGHT: 144.21474
SMILES: CC(C)(CN(C)C)C=NO
Structure:
CAS RN: 5875-26-3
CAS Name: 11-bromoundecanamide
OPENEYE Name: 11-bromoundecanamide
IUPAC Name: 11-bromoundecanamide
SYSTEMATIC NAME: 11-bromanylundecanamide
MOLECULAR FORMULA: C11H22BrNO
MOLECULAR WEIGHT: 264.20248
SMILES: C(CCCCCBr)CCCCC(=O)N
Structure:
CAS RN: 7405-17-6
CAS Name: 2-bromo-3-methylbutanedioic acid
OPENEYE Name: 2-bromo-3-methyl-butanedioic acid
IUPAC Name: 2-bromo-3-methylbutanedioic acid
SYSTEMATIC NAME: 2-bromanyl-3-methyl-butanedioic acid
MOLECULAR FORMULA: C5H7BrO4
MOLECULAR WEIGHT: 211.01068
SMILES: CC(C(C(=O)O)Br)C(=O)O
Structure:
CAS RN: 10328-96-8
CAS Name: 2,4-dinitro-N-[[2-(phenylmethylthio)cyclohexylidene]amino]aniline
OPENEYE Name: N-[(2-benzylsulfanylcyclohexylidene)amino]-2,4-dinitro-aniline
IUPAC Name: N-[(2-benzylsulfanylcyclohexylidene)amino]-2,4-dinitroaniline
SYSTEMATIC NAME: 2,4-dinitro-N-[[2-(phenylmethylsulfanyl)cyclohexylidene]amino]aniline
MOLECULAR FORMULA: C19H20N4O4S
MOLECULAR WEIGHT: 400.4515
SMILES: C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(C1)SCC3=CC=CC=C3
Structure:
CAS RN: 7405-16-5
CAS Name: 2-ethyl-1,2-diphenyl-1-pentanone
OPENEYE Name: 2-ethyl-1,2-diphenyl-pentan-1-one
IUPAC Name: 2-ethyl-1,2-diphenylpentan-1-one
SYSTEMATIC NAME: 2-ethyl-1,2-diphenyl-pentan-1-one
MOLECULAR FORMULA: C19H22O
MOLECULAR WEIGHT: 266.37738
SMILES: CCCC(CC)(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 7501-94-2
CAS Name: 1,2-diphenyl-1-butanol
OPENEYE Name: 1,2-diphenylbutan-1-ol
IUPAC Name: 1,2-diphenylbutan-1-ol
SYSTEMATIC NAME: 1,2-diphenylbutan-1-ol
MOLECULAR FORMULA: C16H18O
MOLECULAR WEIGHT: 226.31352
SMILES: CCC(C1=CC=CC=C1)C(C2=CC=CC=C2)O
Structure:
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