3-(1-oxidanylidene-3,4-dihydroisothiochromen-8-yl)benzoic acid

Systemtic Name: 3-(1-oxidanylidene-3,4-dihydroisothiochromen-8-yl)benzoic acid Openeye Name: 3-(1-oxoisothiochroman-8-yl)benzoic acid CAS Name: 3-(1-oxo-3,4-dihydro-2-benzothiopyran-8-yl)benzoic acid IUPAC Name: 3-(1-oxo-3,4-dihydroisothiochromen-8-yl)benzoic acid Traditional Name: 3-(1-ketoisothiochroman-8-yl)benzoic acid Formula: C16H12O3S MolecularWeight: 284.32968

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C2=C(C=CC=C21)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1CSC(=O)C2=C(C=CC=C21)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C16H12O3S/c17-15(18)12-5-1-4-11(9-12)13-6-2-3-10-7-8-20-16(19)14(10)13/h1-6,9H,7-8H2,(H,17,18)