[4-[4-[dimethyl(octyl)azaniumyl]butanoyloxy]phenyl] sulfite

Systemtic Name: [4-[4-[dimethyl(octyl)azaniumyl]butanoyloxy]phenyl] sulfite Openeye Name: [4-[4-[dimethyl(octyl)ammonio]butanoyloxy]phenyl] sulfite CAS Name: [4-[4-[dimethyl(octyl)ammonio]-1-oxobutoxy]phenyl] sulfite IUPAC Name: [4-[4-[dimethyl(octyl)azaniumyl]butanoyloxy]phenyl] sulfite Traditional Name: [4-[4-[dimethyl(octyl)ammonio]butanoyloxy]phenyl] sulfite Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CCCC(=O)OC1=CC=C(C=C1)OS(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)CCCC(=O)OC1=CC=C(C=C1)OS(=O)[O-]

InChI

InChI=1S/C20H33NO5S/c1-4-5-6-7-8-9-16-21(2,3)17-10-11-20(22)25-18-12-14-19(15-13-18)26-27(23)24/h12-15H,4-11,16-17H2,1-3H3