2-decylbenzenesulfonate; tris(2-oxidanylpropyl)azanium

Systemtic Name: 2-decylbenzenesulfonate; tris(2-oxidanylpropyl)azanium Openeye Name: 2-decylbenzenesulfonate; tris(2-hydroxypropyl)ammonium CAS Name: 2-decylbenzenesulfonate; tris(2-hydroxypropyl)ammonium IUPAC Name: 2-decylbenzenesulfonate; tris(2-hydroxypropyl)azanium Traditional Name: 2-decylbesylate; tris(2-hydroxypropyl)ammonium Formula: C25H47NO6S MolecularWeight: 489.70878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C[NH+](CC(C)O)CC(C)O)O

Isomeric SMILES

CCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C[NH+](CC(C)O)CC(C)O)O

InChI

InChI=1S/C16H26O3S.C9H21NO3/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)20(17,18)19;1-7(11)4-10(5-8(2)12)6-9(3)13/h10-11,13-14H,2-9,12H2,1H3,(H,17,18,19);7-9,11-13H,4-6H2,1-3H3