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

Systemtic Name: sodium 4-[3-chloranyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanyl-butanoate Openeye Name: sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-chloro-phenyl]-4-hydroxy-3-methyl-butanoate CAS Name: sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-chlorophenyl]-4-hydroxy-3-methylbutanoate IUPAC Name: sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3-chlorophenyl]-4-hydroxy-3-methylbutanoate Traditional Name: sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-chloro-phenyl]-4-hydroxy-3-methyl-butyrate Formula: C25H30ClNaO6S MolecularWeight: 517.00987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClO6S.Na/c1-4-6-19-21(9-8-18(16(3)27)25(19)31)32-11-5-12-33-22-10-7-17(14-20(22)26)24(30)15(2)13-23(28)29;/h7-10,14-15,24,30-31H,4-6,11-13H2,1-3H3,(H,28,29);/q;+1/p-1