sodium 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3,3-dimethyl-4-oxidanyl-butanoate

Systemtic Name: sodium 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3,3-dimethyl-4-oxidanyl-butanoate Openeye Name: sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-hydroxy-3,3-dimethyl-butanoate CAS Name: sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-hydroxy-3,3-dimethylbutanoate IUPAC Name: sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-4-hydroxy-3,3-dimethylbutanoate Traditional Name: sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-4-hydroxy-3,3-dimethyl-butyrate Formula: C26H33NaO6S MolecularWeight: 496.59139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(C(C)(C)CC(=O)[O-])O.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(C(C)(C)CC(=O)[O-])O.[Na+]

InChI

InChI=1S/C26H34O6S.Na/c1-5-7-21-22(13-12-20(17(2)27)24(21)30)32-14-6-15-33-19-10-8-18(9-11-19)25(31)26(3,4)16-23(28)29;/h8-13,25,30-31H,5-7,14-16H2,1-4H3,(H,28,29);/q;+1/p-1