[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (6,7-dihydroxy-2-oxo-chromen-4-yl)methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dihydroxy-2-oxochromen-4-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (6,7-dihydroxy-2-keto-chromen-4-yl)methyl ester Formula: C19H11ClO6S MolecularWeight: 402.80504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)O)O)Cl

InChI

InChI=1S/C19H11ClO6S/c20-17-10-3-1-2-4-15(10)27-18(17)19(24)25-8-9-5-16(23)26-14-7-13(22)12(21)6-11(9)14/h1-7,21-22H,8H2