7-phenoxy-3,4-dihydro-1H-isothiochromene-1-carboxylic acid

Systemtic Name: 7-phenoxy-3,4-dihydro-1H-isothiochromene-1-carboxylic acid Openeye Name: 7-phenoxyisothiochromane-1-carboxylic acid CAS Name: 7-phenoxy-3,4-dihydro-1H-2-benzothiopyran-1-carboxylic acid IUPAC Name: 7-phenoxy-3,4-dihydro-1H-isothiochromene-1-carboxylic acid Traditional Name: 7-phenoxyisothiochroman-1-carboxylic acid Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(C2=C1C=CC(=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CSC(C2=C1C=CC(=C2)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H14O3S/c17-16(18)15-14-10-13(7-6-11(14)8-9-20-15)19-12-4-2-1-3-5-12/h1-7,10,15H,8-9H2,(H,17,18)