sodium 4-methyl-2-[2-[5-methyl-2-(4-methylphenoxy)sulfonyl-phenyl]ethyl]benzenesulfinate

Systemtic Name: sodium 4-methyl-2-[2-[5-methyl-2-(4-methylphenoxy)sulfonyl-phenyl]ethyl]benzenesulfinate Openeye Name: sodium 4-methyl-2-[2-[5-methyl-2-(4-methylphenoxy)sulfonyl-phenyl]ethyl]benzenesulfinate CAS Name: sodium 4-methyl-2-[2-[5-methyl-2-(4-methylphenoxy)sulfonylphenyl]ethyl]benzenesulfinate IUPAC Name: sodium 4-methyl-2-[2-[5-methyl-2-(4-methylphenoxy)sulfonylphenyl]ethyl]benzenesulfinate Traditional Name: sodium 4-methyl-2-[2-[5-methyl-2-(4-methylphenoxy)sulfonyl-phenyl]ethyl]benzenesulfinate Formula: C23H23NaO5S2 MolecularWeight: 466.54549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)C)CCC3=C(C=CC(=C3)C)S(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)C)CCC3=C(C=CC(=C3)C)S(=O)[O-].[Na+]

InChI

InChI=1S/C23H24O5S2.Na/c1-16-4-10-21(11-5-16)28-30(26,27)23-13-7-18(3)15-20(23)9-8-19-14-17(2)6-12-22(19)29(24)25;/h4-7,10-15H,8-9H2,1-3H3,(H,24,25);/q;+1/p-1