4-[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-yl]benzoic acid

Systemtic Name: 4-[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-yl]benzoic acid Openeye Name: 4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)benzoic acid CAS Name: 4-(1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-4-yl)benzoic acid IUPAC Name: 4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)benzoic acid Traditional Name: 4-(1,1-diketo-3,4-dihydro-2H-thiochromen-4-yl)benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C2=CC=CC=C2C1C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)C2=CC=CC=C2C1C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14O4S/c17-16(18)12-7-5-11(6-8-12)13-9-10-21(19,20)15-4-2-1-3-14(13)15/h1-8,13H,9-10H2,(H,17,18)