sodium 4-methyl-3-octadecyl-benzenesulfonate

Systemtic Name: sodium 4-methyl-3-octadecyl-benzenesulfonate Openeye Name: sodium 4-methyl-3-octadecyl-benzenesulfonate CAS Name: sodium 4-methyl-3-octadecylbenzenesulfonate IUPAC Name: sodium 4-methyl-3-octadecylbenzenesulfonate Traditional Name: sodium 4-methyl-3-stearyl-besylate Formula: C25H43NaO3S MolecularWeight: 446.66189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C25H44O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22-25(29(26,27)28)21-20-23(24)2;/h20-22H,3-19H2,1-2H3,(H,26,27,28);/q;+1/p-1