sodium methyl 2-ethyl-4-(4-sulfanidylsulfonylphenyl)pentanoate

Systemtic Name: sodium methyl 2-ethyl-4-(4-sulfanidylsulfonylphenyl)pentanoate Openeye Name: sodium methyl 2-ethyl-4-(4-sulfidosulfonylphenyl)pentanoate CAS Name: sodium 2-ethyl-4-(4-sulfidosulfonylphenyl)pentanoic acid methyl ester IUPAC Name: sodium methyl 2-ethyl-4-(4-sulfidosulfonylphenyl)pentanoate Traditional Name: sodium 2-ethyl-4-(4-sulfidosulfonylphenyl)valeric acid methyl ester Formula: C14H19NaO4S2 MolecularWeight: 338.41803

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)S(=O)(=O)[S-])C(=O)OC.[Na+]

Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)S(=O)(=O)[S-])C(=O)OC.[Na+]

InChI

InChI=1S/C14H20O4S2.Na/c1-4-11(14(15)18-3)9-10(2)12-5-7-13(8-6-12)20(16,17)19;/h5-8,10-11H,4,9H2,1-3H3,(H,16,17,19);/q;+1/p-1