(3-carboxy-1-oxidanyl-6-sulfo-hexan-3-yl)-dimethyl-(1-oxidanylpentadecan-3-yl)azanium

Systemtic Name: (3-carboxy-1-oxidanyl-6-sulfo-hexan-3-yl)-dimethyl-(1-oxidanylpentadecan-3-yl)azanium Openeye Name: [1-carboxy-1-(2-hydroxyethyl)-4-sulfo-butyl]-[1-(2-hydroxyethyl)tridecyl]-dimethyl-ammonium CAS Name: (3-carboxy-1-hydroxy-6-sulfohexan-3-yl)-(1-hydroxypentadecan-3-yl)-dimethylammonium IUPAC Name: (3-carboxy-1-hydroxy-6-sulfohexan-3-yl)-(1-hydroxypentadecan-3-yl)-dimethylazanium Traditional Name: [1-carboxy-1-(2-hydroxyethyl)-4-sulfo-butyl]-[1-(2-hydroxyethyl)tridecyl]-dimethyl-ammonium Formula: C24H50NO7S+ MolecularWeight: 496.7213

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCO)[N+](C)(C)C(CCCS(=O)(=O)O)(CCO)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCO)[N+](C)(C)C(CCCS(=O)(=O)O)(CCO)C(=O)O

InChI

InChI=1S/C24H49NO7S/c1-4-5-6-7-8-9-10-11-12-13-15-22(16-19-26)25(2,3)24(18-20-27,23(28)29)17-14-21-33(30,31)32/h22,26-27H,4-21H2,1-3H3,(H-,28,29,30,31,32)/p+1