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(E)-3-oxidanylidene-2-sulfo-2-(trimethylazaniumyl)icos-11-enoate

(E)-3-oxidanylidene-2-sulfo-2-(trimethylazaniumyl)icos-11-enoate

Systemtic Name:(E)-3-oxidanylidene-2-sulfo-2-(trimethylazaniumyl)icos-11-enoate
Openeye Name:(E)-3-oxo-2-sulfo-2-(trimethylammonio)icos-11-enoate
CAS Name:(E)-3-oxo-2-sulfo-2-(trimethylammonio)-11-eicosenoate
IUPAC Name:(E)-3-oxo-2-sulfo-2-(trimethylazaniumyl)icos-11-enoate
Traditional Name:(E)-3-keto-2-sulfo-2-(trimethylammonio)eicos-11-enoate
Formula: C23H43NO6S
MolecularWeight: 461.65562
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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)/b13-12+


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