7-phenylmethoxy-3,4-dihydro-2H-thiochromene-4-carboxylic acid

Systemtic Name: 7-phenylmethoxy-3,4-dihydro-2H-thiochromene-4-carboxylic acid Openeye Name: 7-benzyloxythiochromane-4-carboxylic acid CAS Name: 7-phenylmethoxy-3,4-dihydro-2H-1-benzothiopyran-4-carboxylic acid IUPAC Name: 7-phenylmethoxy-3,4-dihydro-2H-thiochromene-4-carboxylic acid Traditional Name: 7-benzoxythiochroman-4-carboxylic acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1C(=O)O)C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1CSC2=C(C1C(=O)O)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C17H16O3S/c18-17(19)15-8-9-21-16-10-13(6-7-14(15)16)20-11-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H,18,19)