4-(10-methylundecyl)benzenesulfonate; tris(2-oxidanylpropyl)azanium

Systemtic Name: 4-(10-methylundecyl)benzenesulfonate; tris(2-oxidanylpropyl)azanium Openeye Name: 4-(10-methylundecyl)benzenesulfonate; tris(2-hydroxypropyl)ammonium CAS Name: 4-(10-methylundecyl)benzenesulfonate; tris(2-hydroxypropyl)ammonium IUPAC Name: 4-(10-methylundecyl)benzenesulfonate; tris(2-hydroxypropyl)azanium Traditional Name: 4-(10-methylundecyl)besylate; tris(2-hydroxypropyl)ammonium Formula: C27H51NO6S MolecularWeight: 517.76194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C[NH+](CC(C)O)CC(C)O)O

Isomeric SMILES

CC(C)CCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C[NH+](CC(C)O)CC(C)O)O

InChI

InChI=1S/C18H30O3S.C9H21NO3/c1-16(2)10-8-6-4-3-5-7-9-11-17-12-14-18(15-13-17)22(19,20)21;1-7(11)4-10(5-8(2)12)6-9(3)13/h12-16H,3-11H2,1-2H3,(H,19,20,21);7-9,11-13H,4-6H2,1-3H3