sodium 2-ethanoylsulfanyl-4-[4-(4-methylphenoxy)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: sodium 2-ethanoylsulfanyl-4-[4-(4-methylphenoxy)phenyl]-4-oxidanylidene-butanoate Openeye Name: sodium 2-acetylsulfanyl-4-[4-(4-methylphenoxy)phenyl]-4-oxo-butanoate CAS Name: sodium 2-(acetylthio)-4-[4-(4-methylphenoxy)phenyl]-4-oxobutanoate IUPAC Name: sodium 2-acetylsulfanyl-4-[4-(4-methylphenoxy)phenyl]-4-oxobutanoate Traditional Name: sodium 2-(acetylthio)-4-keto-4-[4-(4-methylphenoxy)phenyl]butyrate Formula: C19H17NaO5S MolecularWeight: 380.39005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CC(C(=O)[O-])SC(=O)C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CC(C(=O)[O-])SC(=O)C.[Na+]

InChI

InChI=1S/C19H18O5S.Na/c1-12-3-7-15(8-4-12)24-16-9-5-14(6-10-16)17(21)11-18(19(22)23)25-13(2)20;/h3-10,18H,11H2,1-2H3,(H,22,23);/q;+1/p-1