sodium 4-dodecyl-2,5-dimethyl-benzenesulfonate

Systemtic Name: sodium 4-dodecyl-2,5-dimethyl-benzenesulfonate Openeye Name: sodium 4-dodecyl-2,5-dimethyl-benzenesulfonate CAS Name: sodium 4-dodecyl-2,5-dimethylbenzenesulfonate IUPAC Name: sodium 4-dodecyl-2,5-dimethylbenzenesulfonate Traditional Name: sodium 4-lauryl-2,5-dimethyl-besylate Formula: C20H33NaO3S MolecularWeight: 376.52899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1C)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1C)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C20H34O3S.Na/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-18(3)20(16-17(19)2)24(21,22)23;/h15-16H,4-14H2,1-3H3,(H,21,22,23);/q;+1/p-1