sodium 4-dodecan-2-ylbenzenesulfonate

Systemtic Name: sodium 4-dodecan-2-ylbenzenesulfonate Openeye Name: sodium 4-(1-methylundecyl)benzenesulfonate CAS Name: sodium 4-dodecan-2-ylbenzenesulfonate IUPAC Name: sodium 4-dodecan-2-ylbenzenesulfonate Traditional Name: sodium 4-(1-methylundecyl)besylate Formula: C18H29NaO3S MolecularWeight: 348.47583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O3S.Na/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1