4-(5,7-dimethoxy-4-oxidanylidene-chromen-2-yl)-2-sulfanyl-benzoic acid

Systemtic Name: 4-(5,7-dimethoxy-4-oxidanylidene-chromen-2-yl)-2-sulfanyl-benzoic acid Openeye Name: 4-(5,7-dimethoxy-4-oxo-chromen-2-yl)-2-sulfanyl-benzoic acid CAS Name: 4-(5,7-dimethoxy-4-oxo-1-benzopyran-2-yl)-2-mercaptobenzoic acid IUPAC Name: 4-(5,7-dimethoxy-4-oxochromen-2-yl)-2-sulfanylbenzoic acid Traditional Name: 4-(4-keto-5,7-dimethoxy-chromen-2-yl)-2-mercapto-benzoic acid Formula: C18H14O6S MolecularWeight: 358.36516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)C(=O)O)S)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)C(=O)O)S)OC

InChI

InChI=1S/C18H14O6S/c1-22-10-6-14(23-2)17-12(19)8-13(24-15(17)7-10)9-3-4-11(18(20)21)16(25)5-9/h3-8,25H,1-2H3,(H,20,21)