[(E)-3,3-dimethyl-1-oxidanyl-1-oxidanylidene-2-sulfo-icos-11-en-2-yl]-trimethyl-azanium

Systemtic Name: [(E)-3,3-dimethyl-1-oxidanyl-1-oxidanylidene-2-sulfo-icos-11-en-2-yl]-trimethyl-azanium Openeye Name: [(E)-1-carboxy-2,2-dimethyl-1-sulfo-nonadec-10-enyl]-trimethyl-ammonium CAS Name: [(E)-1-hydroxy-3,3-dimethyl-1-oxo-2-sulfoeicos-11-en-2-yl]-trimethylammonium IUPAC Name: [(E)-1-hydroxy-3,3-dimethyl-1-oxo-2-sulfoicos-11-en-2-yl]-trimethylazanium Traditional Name: [(E)-1-carboxy-2,2-dimethyl-1-sulfo-nonadec-10-enyl]-trimethyl-ammonium Formula: C25H50NO5S+ MolecularWeight: 476.7332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(C)(C)C(C(=O)O)([N+](C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C25H49NO5S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2,3)25(23(27)28,26(4,5)6)32(29,30)31/h14-15H,7-13,16-22H2,1-6H3,(H-,27,28,29,30,31)/p+1/b15-14+