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

Systemtic Name: sodium (5-dodecyl-2-oxidanyl-phenyl)methanesulfonate Openeye Name: sodium (5-dodecyl-2-hydroxy-phenyl)methanesulfonate CAS Name: sodium (5-dodecyl-2-hydroxyphenyl)methanesulfonate IUPAC Name: sodium (5-dodecyl-2-hydroxyphenyl)methanesulfonate Traditional Name: sodium (2-hydroxy-5-lauryl-phenyl)methanesulfonate Formula: C19H31NaO4S MolecularWeight: 378.50181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)O)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)O)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H32O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(20)18(15-17)16-24(21,22)23;/h13-15,20H,2-12,16H2,1H3,(H,21,22,23);/q;+1/p-1