azanium 2,4-didecylbenzenesulfonate

Systemtic Name: azanium 2,4-didecylbenzenesulfonate Openeye Name: ammonium 2,4-didecylbenzenesulfonate CAS Name: ammonium 2,4-didecylbenzenesulfonate IUPAC Name: azanium 2,4-didecylbenzenesulfonate Traditional Name: ammonium 2,4-didecylbesylate Formula: C26H49NO3S MolecularWeight: 455.73716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCC.[NH4+]

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCC.[NH4+]

InChI

InChI=1S/C26H46O3S.H3N/c1-3-5-7-9-11-13-15-17-19-24-21-22-26(30(27,28)29)25(23-24)20-18-16-14-12-10-8-6-4-2;/h21-23H,3-20H2,1-2H3,(H,27,28,29);1H3