3-tert-butyl-3-oxidanyl-2-sulfo-2-(trimethylazaniumyl)pentadecanoate

Systemtic Name: 3-tert-butyl-3-oxidanyl-2-sulfo-2-(trimethylazaniumyl)pentadecanoate Openeye Name: 3-tert-butyl-3-hydroxy-2-sulfo-2-(trimethylammonio)pentadecanoate CAS Name: 3-tert-butyl-3-hydroxy-2-sulfo-2-(trimethylammonio)pentadecanoate IUPAC Name: 3-tert-butyl-3-hydroxy-2-sulfo-2-(trimethylazaniumyl)pentadecanoate Traditional Name: 3-tert-butyl-3-hydroxy-2-sulfo-2-(trimethylammonio)pentadecanoate Formula: C22H45NO6S MolecularWeight: 451.6608

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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)