sodium 4-tetradecan-2-ylbenzenesulfonate

Systemtic Name: sodium 4-tetradecan-2-ylbenzenesulfonate Openeye Name: sodium 4-(1-methyltridecyl)benzenesulfonate CAS Name: sodium 4-tetradecan-2-ylbenzenesulfonate IUPAC Name: sodium 4-tetradecan-2-ylbenzenesulfonate Traditional Name: sodium 4-(1-methyltridecyl)besylate Formula: C20H33NaO3S MolecularWeight: 376.52899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-18(2)19-14-16-20(17-15-19)24(21,22)23;/h14-18H,3-13H2,1-2H3,(H,21,22,23);/q;+1/p-1