4-[2-methoxy-5-methyl-3-(4-sulfophenoxy)phenoxy]benzenesulfonic acid

Systemtic Name: 4-[2-methoxy-5-methyl-3-(4-sulfophenoxy)phenoxy]benzenesulfonic acid Openeye Name: 4-[2-methoxy-5-methyl-3-(4-sulfophenoxy)phenoxy]benzenesulfonic acid CAS Name: 4-[2-methoxy-5-methyl-3-(4-sulfophenoxy)phenoxy]benzenesulfonic acid IUPAC Name: 4-[2-methoxy-5-methyl-3-(4-sulfophenoxy)phenoxy]benzenesulfonic acid Traditional Name: 4-[2-methoxy-5-methyl-3-(4-sulfophenoxy)phenoxy]besylic acid Formula: C20H18O9S2 MolecularWeight: 466.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)S(=O)(=O)O)OC)OC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)S(=O)(=O)O)OC)OC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C20H18O9S2/c1-13-11-18(28-14-3-7-16(8-4-14)30(21,22)23)20(27-2)19(12-13)29-15-5-9-17(10-6-15)31(24,25)26/h3-12H,1-2H3,(H,21,22,23)(H,24,25,26)