sodium 2-decanoyl-6-oxidanyl-benzenesulfonate

Systemtic Name: sodium 2-decanoyl-6-oxidanyl-benzenesulfonate Openeye Name: sodium 2-decanoyl-6-hydroxy-benzenesulfonate CAS Name: sodium 2-hydroxy-6-(1-oxodecyl)benzenesulfonate IUPAC Name: sodium 2-decanoyl-6-hydroxybenzenesulfonate Traditional Name: sodium 2-capryl-6-hydroxy-besylate Formula: C16H23NaO5S MolecularWeight: 350.40559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O5S.Na/c1-2-3-4-5-6-7-8-11-14(17)13-10-9-12-15(18)16(13)22(19,20)21;/h9-10,12,18H,2-8,11H2,1H3,(H,19,20,21);/q;+1/p-1