6-(4-chlorophenyl)-4-oxidanylidene-1H-isothiochromene-1-carboxylic acid

Systemtic Name: 6-(4-chlorophenyl)-4-oxidanylidene-1H-isothiochromene-1-carboxylic acid Openeye Name: 6-(4-chlorophenyl)-4-oxo-isothiochromane-1-carboxylic acid CAS Name: 6-(4-chlorophenyl)-4-oxo-1H-2-benzothiopyran-1-carboxylic acid IUPAC Name: 6-(4-chlorophenyl)-4-oxo-1H-isothiochromene-1-carboxylic acid Traditional Name: 6-(4-chlorophenyl)-4-keto-isothiochroman-1-carboxylic acid Formula: C16H11ClO3S MolecularWeight: 318.77474

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(C=CC(=C2)C3=CC=C(C=C3)Cl)C(S1)C(=O)O

Isomeric SMILES

C1C(=O)C2=C(C=CC(=C2)C3=CC=C(C=C3)Cl)C(S1)C(=O)O

InChI

InChI=1S/C16H11ClO3S/c17-11-4-1-9(2-5-11)10-3-6-12-13(7-10)14(18)8-21-15(12)16(19)20/h1-7,15H,8H2,(H,19,20)