sodium 4-decan-2-ylbenzenesulfonate

Systemtic Name: sodium 4-decan-2-ylbenzenesulfonate Openeye Name: sodium 4-(1-methylnonyl)benzenesulfonate CAS Name: sodium 4-decan-2-ylbenzenesulfonate IUPAC Name: sodium 4-decan-2-ylbenzenesulfonate Traditional Name: sodium 4-(1-methylnonyl)besylate Formula: C16H25NaO3S MolecularWeight: 320.42267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O3S.Na/c1-3-4-5-6-7-8-9-14(2)15-10-12-16(13-11-15)20(17,18)19;/h10-14H,3-9H2,1-2H3,(H,17,18,19);/q;+1/p-1