sodium 4-[4-[3-(4-acetyloxy-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanyl-butanoate

Systemtic Name: sodium 4-[4-[3-(4-acetyloxy-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanyl-butanoate Openeye Name: sodium 4-[4-[3-(4-acetoxy-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-hydroxy-3-methyl-butanoate CAS Name: sodium 4-[4-[3-(4-acetyloxy-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-hydroxy-3-methylbutanoate IUPAC Name: sodium 4-[4-[3-(4-acetyloxy-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-4-hydroxy-3-methylbutanoate Traditional Name: sodium 4-[4-[3-(4-acetoxy-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-4-hydroxy-3-methyl-butyrate Formula: C25H31NaO7S MolecularWeight: 498.56421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32O7S.Na/c1-4-6-20-21(11-12-22(25(20)30)32-17(3)26)31-13-5-14-33-19-9-7-18(8-10-19)24(29)16(2)15-23(27)28;/h7-12,16,24,29-30H,4-6,13-15H2,1-3H3,(H,27,28);/q;+1/p-1