sodium 2-[4-[4-(4-methoxyphenyl)phenyl]phenoxy]-2-oxidanylidene-ethanesulfonate

Systemtic Name: sodium 2-[4-[4-(4-methoxyphenyl)phenyl]phenoxy]-2-oxidanylidene-ethanesulfonate Openeye Name: sodium 2-[4-[4-(4-methoxyphenyl)phenyl]phenoxy]-2-oxo-ethanesulfonate CAS Name: sodium 2-[4-[4-(4-methoxyphenyl)phenyl]phenoxy]-2-oxoethanesulfonate IUPAC Name: sodium 2-[4-[4-(4-methoxyphenyl)phenyl]phenoxy]-2-oxoethanesulfonate Traditional Name: sodium 2-keto-2-[4-[4-(4-methoxyphenyl)phenyl]phenoxy]ethanesulfonate Formula: C21H17NaO6S MolecularWeight: 420.41085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H18O6S.Na/c1-26-19-10-6-17(7-11-19)15-2-4-16(5-3-15)18-8-12-20(13-9-18)27-21(22)14-28(23,24)25;/h2-13H,14H2,1H3,(H,23,24,25);/q;+1/p-1