didodecyl-(1-hydroxyethyl)-(phenylmethyl)azanium; 2-oxidanylbenzenesulfonate

Systemtic Name: didodecyl-(1-hydroxyethyl)-(phenylmethyl)azanium; 2-oxidanylbenzenesulfonate Openeye Name: benzyl-didodecyl-(1-hydroxyethyl)ammonium; 2-hydroxybenzenesulfonate CAS Name: didodecyl-(1-hydroxyethyl)-(phenylmethyl)ammonium; 2-hydroxybenzenesulfonate IUPAC Name: benzyl-didodecyl-(1-hydroxyethyl)azanium; 2-hydroxybenzenesulfonate Traditional Name: benzyl-(1-hydroxyethyl)-dilauryl-ammonium; 2-hydroxybesylate Formula: C39H67NO5S MolecularWeight: 662.01798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CC1=CC=CC=C1)C(C)O.C1=CC=C(C(=C1)O)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CC1=CC=CC=C1)C(C)O.C1=CC=C(C(=C1)O)S(=O)(=O)[O-]

InChI

InChI=1S/C33H62NO.C6H6O4S/c1-4-6-8-10-12-14-16-18-20-25-29-34(32(3)35,31-33-27-23-22-24-28-33)30-26-21-19-17-15-13-11-9-7-5-2;7-5-3-1-2-4-6(5)11(8,9)10/h22-24,27-28,32,35H,4-21,25-26,29-31H2,1-3H3;1-4,7H,(H,8,9,10)/q+1;/p-1