sodium 2-[4-[(3-oxidanylidene-1H-isoindol-2-yl)sulfanyl]phenyl]butanoate

Systemtic Name: sodium 2-[4-[(3-oxidanylidene-1H-isoindol-2-yl)sulfanyl]phenyl]butanoate Openeye Name: sodium 2-[4-(1-oxoisoindolin-2-yl)sulfanylphenyl]butanoate CAS Name: sodium 2-[4-[(3-oxo-1H-isoindol-2-yl)thio]phenyl]butanoate IUPAC Name: sodium 2-[4-[(3-oxo-1H-isoindol-2-yl)sulfanyl]phenyl]butanoate Traditional Name: sodium 2-[4-[(1-ketoisoindolin-2-yl)thio]phenyl]butyrate Formula: C18H16NNaO3S MolecularWeight: 349.37931

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)SN2CC3=CC=CC=C3C2=O)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(C1=CC=C(C=C1)SN2CC3=CC=CC=C3C2=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H17NO3S.Na/c1-2-15(18(21)22)12-7-9-14(10-8-12)23-19-11-13-5-3-4-6-16(13)17(19)20;/h3-10,15H,2,11H2,1H3,(H,21,22);/q;+1/p-1