sodium 2,3,4,5-tetrapropylbenzenesulfonate

Systemtic Name: sodium 2,3,4,5-tetrapropylbenzenesulfonate Openeye Name: sodium 2,3,4,5-tetrapropylbenzenesulfonate CAS Name: sodium 2,3,4,5-tetrapropylbenzenesulfonate IUPAC Name: sodium 2,3,4,5-tetrapropylbenzenesulfonate Traditional Name: sodium 2,3,4,5-tetrapropylbesylate Formula: C18H29NaO3S MolecularWeight: 348.47583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1CCC)CCC)CCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=CC(=C(C(=C1CCC)CCC)CCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O3S.Na/c1-5-9-14-13-18(22(19,20)21)17(12-8-4)16(11-7-3)15(14)10-6-2;/h13H,5-12H2,1-4H3,(H,19,20,21);/q;+1/p-1