3-tert-butyl-3-sulfo-2-(trimethylazaniumyl)henicosanoate

Systemtic Name: 3-tert-butyl-3-sulfo-2-(trimethylazaniumyl)henicosanoate Openeye Name: 3-tert-butyl-3-sulfo-2-(trimethylammonio)henicosanoate CAS Name: 3-tert-butyl-3-sulfo-2-(trimethylammonio)heneicosanoate IUPAC Name: 3-tert-butyl-3-sulfo-2-(trimethylazaniumyl)henicosanoate Traditional Name: 3-tert-butyl-3-sulfo-2-(trimethylammonio)heneicosanoate Formula: C28H57NO5S MolecularWeight: 519.82088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(C(=O)[O-])[N+](C)(C)C)(C(C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(C(=O)[O-])[N+](C)(C)C)(C(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C28H57NO5S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(27(2,3)4,35(32,33)34)25(26(30)31)29(5,6)7/h25H,8-24H2,1-7H3,(H-,30,31,32,33,34)