sodium 2-[3,4-bis(phenylmethoxy)phenyl]-1-oxidanyl-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: sodium 2-[3,4-bis(phenylmethoxy)phenyl]-1-oxidanyl-2-oxidanylidene-ethanesulfonic acid Openeye Name: sodium 2-(3,4-dibenzyloxyphenyl)-1-hydroxy-2-oxo-ethanesulfonic acid CAS Name: sodium 2-[3,4-bis(phenylmethoxy)phenyl]-1-hydroxy-2-oxoethanesulfonic acid IUPAC Name: sodium 2-[3,4-bis(phenylmethoxy)phenyl]-1-hydroxy-2-oxoethanesulfonic acid Traditional Name: sodium 2-(3,4-dibenzoxyphenyl)-1-hydroxy-2-keto-ethanesulfonic acid Formula: C22H20NaO7S+ MolecularWeight: 451.44477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)C(O)S(=O)(=O)O)OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)C(O)S(=O)(=O)O)OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C22H20O7S.Na/c23-21(22(24)30(25,26)27)18-11-12-19(28-14-16-7-3-1-4-8-16)20(13-18)29-15-17-9-5-2-6-10-17;/h1-13,22,24H,14-15H2,(H,25,26,27);/q;+1