sodium 1-oxidanyl-2-oxidanylidene-1-phenylmethoxy-2-(4-phenylmethoxyphenyl)ethanesulfonic acid

Systemtic Name: sodium 1-oxidanyl-2-oxidanylidene-1-phenylmethoxy-2-(4-phenylmethoxyphenyl)ethanesulfonic acid Openeye Name: sodium 1-benzyloxy-2-(4-benzyloxyphenyl)-1-hydroxy-2-oxo-ethanesulfonic acid CAS Name: sodium 1-hydroxy-2-oxo-1-phenylmethoxy-2-(4-phenylmethoxyphenyl)ethanesulfonic acid IUPAC Name: sodium 1-hydroxy-2-oxo-1-phenylmethoxy-2-(4-phenylmethoxyphenyl)ethanesulfonic acid Traditional Name: sodium 1-benzoxy-2-(4-benzoxyphenyl)-1-hydroxy-2-keto-ethanesulfonic acid Formula: C22H20NaO7S+ MolecularWeight: 451.44477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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