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

Systemtic Name: 3-[(1-oxidanylidene-3,4-dihydroisothiochromen-8-yl)oxymethyl]benzoic acid Openeye Name: 3-[(1-oxoisothiochroman-8-yl)oxymethyl]benzoic acid CAS Name: 3-[(1-oxo-3,4-dihydro-2-benzothiopyran-8-yl)oxymethyl]benzoic acid IUPAC Name: 3-[(1-oxo-3,4-dihydroisothiochromen-8-yl)oxymethyl]benzoic acid Traditional Name: 3-[(1-ketoisothiochroman-8-yl)oxymethyl]benzoic acid Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C2=C1C=CC=C2OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CSC(=O)C2=C1C=CC=C2OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14O4S/c18-16(19)13-5-1-3-11(9-13)10-21-14-6-2-4-12-7-8-22-17(20)15(12)14/h1-6,9H,7-8,10H2,(H,18,19)