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

Systemtic Name: 4-[(1-oxidanylidene-3,4-dihydroisothiochromen-8-yl)oxymethyl]benzoic acid Openeye Name: 4-[(1-oxoisothiochroman-8-yl)oxymethyl]benzoic acid CAS Name: 4-[(1-oxo-3,4-dihydro-2-benzothiopyran-8-yl)oxymethyl]benzoic acid IUPAC Name: 4-[(1-oxo-3,4-dihydroisothiochromen-8-yl)oxymethyl]benzoic acid Traditional Name: 4-[(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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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