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

Systemtic Name: 2-[(6,7-diacetyloxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(6,7-diacetoxy-2-oxo-chromen-4-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(6,7-diacetyloxy-2-oxo-1-benzopyran-4-yl)methylthio]benzoic acid IUPAC Name: 2-[(6,7-diacetyloxy-2-oxochromen-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(6,7-diacetoxy-2-keto-chromen-4-yl)methylthio]benzoic acid Formula: C21H16O8S MolecularWeight: 428.41194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=CC=CC=C3C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=CC=CC=C3C(=O)O)OC(=O)C

InChI

InChI=1S/C21H16O8S/c1-11(22)27-17-8-15-13(10-30-19-6-4-3-5-14(19)21(25)26)7-20(24)29-16(15)9-18(17)28-12(2)23/h3-9H,10H2,1-2H3,(H,25,26)