sodium (5-nonyl-2-oxidanyl-phenyl)methanesulfonate

Systemtic Name: sodium (5-nonyl-2-oxidanyl-phenyl)methanesulfonate Openeye Name: sodium (2-hydroxy-5-nonyl-phenyl)methanesulfonate CAS Name: sodium (2-hydroxy-5-nonylphenyl)methanesulfonate IUPAC Name: sodium (2-hydroxy-5-nonylphenyl)methanesulfonate Traditional Name: sodium (2-hydroxy-5-nonyl-phenyl)methanesulfonate Formula: C16H25NaO4S MolecularWeight: 336.42207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)O)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)O)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H26O4S.Na/c1-2-3-4-5-6-7-8-9-14-10-11-16(17)15(12-14)13-21(18,19)20;/h10-12,17H,2-9,13H2,1H3,(H,18,19,20);/q;+1/p-1