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3-[dimethyl-[(E)-octadec-2-enoyl]azaniumyl]propane-1-sulfonate

3-[dimethyl-[(E)-octadec-2-enoyl]azaniumyl]propane-1-sulfonate

Systemtic Name:3-[dimethyl-[(E)-octadec-2-enoyl]azaniumyl]propane-1-sulfonate
Openeye Name:3-[dimethyl-[(E)-octadec-2-enoyl]ammonio]propane-1-sulfonate
CAS Name:3-[dimethyl-[(E)-1-oxooctadec-2-enyl]ammonio]-1-propanesulfonate
IUPAC Name:3-[dimethyl-[(E)-octadec-2-enoyl]azaniumyl]propane-1-sulfonate
Traditional Name:3-[dimethyl-[(E)-octadec-2-enoyl]ammonio]propane-1-sulfonate
Formula: C23H45NO4S
MolecularWeight: 431.6727
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(=O)[N+](C)(C)CCCS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)[N+](C)(C)CCCS(=O)(=O)[O-]


InChI

InChI=1S/C23H45NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24(2,3)21-19-22-29(26,27)28/h18,20H,4-17,19,21-22H2,1-3H3/b20-18+


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