5-methoxy-2-[4-(4-methylphenyl)carbonylphenoxy]benzenesulfonic acid

Systemtic Name: 5-methoxy-2-[4-(4-methylphenyl)carbonylphenoxy]benzenesulfonic acid Openeye Name: 5-methoxy-2-[4-(4-methylbenzoyl)phenoxy]benzenesulfonic acid CAS Name: 5-methoxy-2-[4-[(4-methylphenyl)-oxomethyl]phenoxy]benzenesulfonic acid IUPAC Name: 5-methoxy-2-[4-(4-methylbenzoyl)phenoxy]benzenesulfonic acid Traditional Name: 5-methoxy-2-(4-p-toluoylphenoxy)besylic acid Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)OC)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)OC)S(=O)(=O)O

InChI

InChI=1S/C21H18O6S/c1-14-3-5-15(6-4-14)21(22)16-7-9-17(10-8-16)27-19-12-11-18(26-2)13-20(19)28(23,24)25/h3-13H,1-2H3,(H,23,24,25)