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(E)-3,3-dimethyl-2-sulfo-2-(trimethylazaniumyl)icos-11-enoate

(E)-3,3-dimethyl-2-sulfo-2-(trimethylazaniumyl)icos-11-enoate

Systemtic Name:(E)-3,3-dimethyl-2-sulfo-2-(trimethylazaniumyl)icos-11-enoate
Openeye Name:(E)-3,3-dimethyl-2-sulfo-2-(trimethylammonio)icos-11-enoate
CAS Name:(E)-3,3-dimethyl-2-sulfo-2-(trimethylammonio)-11-eicosenoate
IUPAC Name:(E)-3,3-dimethyl-2-sulfo-2-(trimethylazaniumyl)icos-11-enoate
Traditional Name:(E)-3,3-dimethyl-2-sulfo-2-(trimethylammonio)eicos-11-enoate
Formula: C25H49NO5S
MolecularWeight: 475.72526
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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)/b15-14+


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