azanium 2,3-di(nonyl)-4-oxidanyl-benzenesulfonate

Systemtic Name: azanium 2,3-di(nonyl)-4-oxidanyl-benzenesulfonate Openeye Name: ammonium 4-hydroxy-2,3-di(nonyl)benzenesulfonate CAS Name: ammonium 4-hydroxy-2,3-di(nonyl)benzenesulfonate IUPAC Name: azanium 4-hydroxy-2,3-di(nonyl)benzenesulfonate Traditional Name: ammonium 4-hydroxy-2,3-di(nonyl)besylate Formula: C24H45NO4S MolecularWeight: 443.6834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=CC(=C1CCCCCCCCC)S(=O)(=O)[O-])O.[NH4+]

Isomeric SMILES

CCCCCCCCCC1=C(C=CC(=C1CCCCCCCCC)S(=O)(=O)[O-])O.[NH4+]

InChI

InChI=1S/C24H42O4S.H3N/c1-3-5-7-9-11-13-15-17-21-22(18-16-14-12-10-8-6-4-2)24(29(26,27)28)20-19-23(21)25;/h19-20,25H,3-18H2,1-2H3,(H,26,27,28);1H3