diethyl 5-ethanoyl-3,6-bis(oxidanyl)-7-propyl-3H-1-benzothiophene-2,2-dicarboxylate

Systemtic Name: diethyl 5-ethanoyl-3,6-bis(oxidanyl)-7-propyl-3H-1-benzothiophene-2,2-dicarboxylate Openeye Name: diethyl 5-acetyl-3,6-dihydroxy-7-propyl-3H-benzothiophene-2,2-dicarboxylate CAS Name: 5-acetyl-3,6-dihydroxy-7-propyl-3H-1-benzothiophene-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-acetyl-3,6-dihydroxy-7-propyl-3H-1-benzothiophene-2,2-dicarboxylate Traditional Name: 5-acetyl-3,6-dihydroxy-7-propyl-3H-benzothiophene-2,2-dicarboxylic acid diethyl ester Formula: C19H24O7S MolecularWeight: 396.45466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC2=C1SC(C2O)(C(=O)OCC)C(=O)OCC)C(=O)C)O

Isomeric SMILES

CCCC1=C(C(=CC2=C1SC(C2O)(C(=O)OCC)C(=O)OCC)C(=O)C)O

InChI

InChI=1S/C19H24O7S/c1-5-8-11-14(21)12(10(4)20)9-13-15(11)27-19(16(13)22,17(23)25-6-2)18(24)26-7-3/h9,16,21-22H,5-8H2,1-4H3