[3-tert-butyl-1,3-bis(oxidanyl)-1-oxidanylidene-2-sulfo-pentadecan-2-yl]-trimethyl-azanium

Systemtic Name: [3-tert-butyl-1,3-bis(oxidanyl)-1-oxidanylidene-2-sulfo-pentadecan-2-yl]-trimethyl-azanium Openeye Name: (2-tert-butyl-1-carboxy-2-hydroxy-1-sulfo-tetradecyl)-trimethyl-ammonium CAS Name: (3-tert-butyl-1,3-dihydroxy-1-oxo-2-sulfopentadecan-2-yl)-trimethylammonium IUPAC Name: (3-tert-butyl-1,3-dihydroxy-1-oxo-2-sulfopentadecan-2-yl)-trimethylazanium Traditional Name: (2-tert-butyl-1-carboxy-2-hydroxy-1-sulfo-tetradecyl)-trimethyl-ammonium Formula: C22H46NO6S+ MolecularWeight: 452.66874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C)(C)C)(C(C(=O)O)([N+](C)(C)C)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCC(C(C)(C)C)(C(C(=O)O)([N+](C)(C)C)S(=O)(=O)O)O

InChI

InChI=1S/C22H45NO6S/c1-8-9-10-11-12-13-14-15-16-17-18-21(26,20(2,3)4)22(19(24)25,23(5,6)7)30(27,28)29/h26H,8-18H2,1-7H3,(H-,24,25,27,28,29)/p+1