sodium 2-(4-methylphenyl)sulfonyl-8-thiophen-2-yl-octanoate

Systemtic Name: sodium 2-(4-methylphenyl)sulfonyl-8-thiophen-2-yl-octanoate Openeye Name: sodium 2-(p-tolylsulfonyl)-8-(2-thienyl)octanoate CAS Name: sodium 2-(4-methylphenyl)sulfonyl-8-thiophen-2-yloctanoate IUPAC Name: sodium 2-(4-methylphenyl)sulfonyl-8-thiophen-2-yloctanoate Traditional Name: sodium 8-(2-thienyl)-2-tosyl-caprylate Formula: C19H23NaO4S2 MolecularWeight: 402.50329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CS2)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CS2)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H24O4S2.Na/c1-15-10-12-17(13-11-15)25(22,23)18(19(20)21)9-5-3-2-4-7-16-8-6-14-24-16;/h6,8,10-14,18H,2-5,7,9H2,1H3,(H,20,21);/q;+1/p-1