6-chloranyl-7-methyl-4-(2-methylphenyl)-2-oxidanylidene-thiochromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-methyl-4-(2-methylphenyl)-2-oxidanylidene-thiochromene-3-carboxylic acid Openeye Name: 6-chloro-7-methyl-4-(o-tolyl)-2-oxo-thiochromene-3-carboxylic acid CAS Name: 6-chloro-7-methyl-4-(2-methylphenyl)-2-oxo-1-benzothiopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-methyl-4-(2-methylphenyl)-2-oxothiochromene-3-carboxylic acid Traditional Name: 6-chloro-2-keto-7-methyl-4-(o-tolyl)thiochromene-3-carboxylic acid Formula: C18H13ClO3S MolecularWeight: 344.81202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=O)SC3=CC(=C(C=C32)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=O)SC3=CC(=C(C=C32)Cl)C)C(=O)O

InChI

InChI=1S/C18H13ClO3S/c1-9-5-3-4-6-11(9)15-12-8-13(19)10(2)7-14(12)23-18(22)16(15)17(20)21/h3-8H,1-2H3,(H,20,21)