4-phenyl-1H-isothiochromene-3-carboxylic acid

Systemtic Name: 4-phenyl-1H-isothiochromene-3-carboxylic acid Openeye Name: 4-phenyl-1H-isothiochromene-3-carboxylic acid CAS Name: 4-phenyl-1H-2-benzothiopyran-3-carboxylic acid IUPAC Name: 4-phenyl-1H-isothiochromene-3-carboxylic acid Traditional Name: 4-phenyl-1H-isothiochromene-3-carboxylic acid Formula: C16H12O2S MolecularWeight: 268.33028

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=C(S1)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2C(=C(S1)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H12O2S/c17-16(18)15-14(11-6-2-1-3-7-11)13-9-5-4-8-12(13)10-19-15/h1-9H,10H2,(H,17,18)