sodium 3,4-dipentylbenzenesulfonate

Systemtic Name: sodium 3,4-dipentylbenzenesulfonate Openeye Name: sodium 3,4-dipentylbenzenesulfonate CAS Name: sodium 3,4-dipentylbenzenesulfonate IUPAC Name: sodium 3,4-dipentylbenzenesulfonate Traditional Name: sodium 3,4-diamylbesylate Formula: C16H25NaO3S MolecularWeight: 320.42267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)S(=O)(=O)[O-])CCCCC.[Na+]

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)S(=O)(=O)[O-])CCCCC.[Na+]

InChI

InChI=1S/C16H26O3S.Na/c1-3-5-7-9-14-11-12-16(20(17,18)19)13-15(14)10-8-6-4-2;/h11-13H,3-10H2,1-2H3,(H,17,18,19);/q;+1/p-1