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

Systemtic Name: trimethyl-[(E)-1-oxidanyl-1,3-bis(oxidanylidene)-2-sulfo-icos-11-en-2-yl]azanium Openeye Name: [(E)-1-carboxy-2-oxo-1-sulfo-nonadec-10-enyl]-trimethyl-ammonium CAS Name: [(E)-1-hydroxy-1,3-dioxo-2-sulfoeicos-11-en-2-yl]-trimethylammonium IUPAC Name: [(E)-1-hydroxy-1,3-dioxo-2-sulfoicos-11-en-2-yl]-trimethylazanium Traditional Name: [(E)-1-carboxy-2-keto-1-sulfo-nonadec-10-enyl]-trimethyl-ammonium Formula: C23H44NO6S+ MolecularWeight: 462.66356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H43NO6S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(25)23(22(26)27,24(2,3)4)31(28,29)30/h12-13H,5-11,14-20H2,1-4H3,(H-,26,27,28,29,30)/p+1/b13-12+