sodium 4-tetracosylbenzenesulfonate

Systemtic Name: sodium 4-tetracosylbenzenesulfonate Openeye Name: sodium 4-tetracosylbenzenesulfonate CAS Name: sodium 4-tetracosylbenzenesulfonate IUPAC Name: sodium 4-tetracosylbenzenesulfonate Traditional Name: sodium 4-lignocerylbesylate Formula: C30H53NaO3S MolecularWeight: 516.79479

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C30H54O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-25-27-30(28-26-29)34(31,32)33;/h25-28H,2-24H2,1H3,(H,31,32,33);/q;+1/p-1