4-ethoxy-2-methoxy-5-(phenylcarbonyl)benzenesulfonic acid

Systemtic Name: 4-ethoxy-2-methoxy-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-4-ethoxy-2-methoxy-benzenesulfonic acid CAS Name: 5-benzoyl-4-ethoxy-2-methoxybenzenesulfonic acid IUPAC Name: 5-benzoyl-4-ethoxy-2-methoxybenzenesulfonic acid Traditional Name: 5-benzoyl-4-ethoxy-2-methoxy-besylic acid Formula: C16H16O6S MolecularWeight: 336.35964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)S(=O)(=O)O)OC

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)S(=O)(=O)O)OC

InChI

InChI=1S/C16H16O6S/c1-3-22-13-10-14(21-2)15(23(18,19)20)9-12(13)16(17)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,19,20)