lithium 5-methoxy-2-[4-(4-methylphenyl)carbonylphenoxy]benzenesulfonate

Systemtic Name: lithium 5-methoxy-2-[4-(4-methylphenyl)carbonylphenoxy]benzenesulfonate Openeye Name: lithium 5-methoxy-2-[4-(4-methylbenzoyl)phenoxy]benzenesulfonate CAS Name: lithium 5-methoxy-2-[4-[(4-methylphenyl)-oxomethyl]phenoxy]benzenesulfonate IUPAC Name: lithium 5-methoxy-2-[4-(4-methylbenzoyl)phenoxy]benzenesulfonate Traditional Name: lithium 5-methoxy-2-(4-p-toluoylphenoxy)besylate Formula: C21H17LiO6S MolecularWeight: 404.36208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].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

[Li+].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.Li/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);/q;+1/p-1