2-[(6,7-dimethoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(6,7-dimethoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(6,7-dimethoxy-2-oxo-chromen-4-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(6,7-dimethoxy-2-oxo-1-benzopyran-4-yl)methylthio]benzoic acid IUPAC Name: 2-[(6,7-dimethoxy-2-oxochromen-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(2-keto-6,7-dimethoxy-chromen-4-yl)methylthio]benzoic acid Formula: C19H16O6S MolecularWeight: 372.39174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C19H16O6S/c1-23-15-8-13-11(7-18(20)25-14(13)9-16(15)24-2)10-26-17-6-4-3-5-12(17)19(21)22/h3-9H,10H2,1-2H3,(H,21,22)