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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])O)CCCCCCCCC.[NH4+]

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])O)CCCCCCCCC.[NH4+]

InChI

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