dimethyl-[2-[(2-methylphenyl)-phenyl-methoxy]ethyl]azanium; hexadecyl sulfate

Systemtic Name: dimethyl-[2-[(2-methylphenyl)-phenyl-methoxy]ethyl]azanium; hexadecyl sulfate Openeye Name: dimethyl-[2-[o-tolyl(phenyl)methoxy]ethyl]ammonium; hexadecyl sulfate CAS Name: dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]ammonium; hexadecyl sulfate IUPAC Name: dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium; hexadecyl sulfate Traditional Name: cetyl sulfate; dimethyl-[2-[o-tolyl(phenyl)methoxy]ethyl]ammonium Formula: C34H57NO5S MolecularWeight: 591.88508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC1=CC=CC=C1C(C2=CC=CC=C2)OCC[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC1=CC=CC=C1C(C2=CC=CC=C2)OCC[NH+](C)C

InChI

InChI=1S/C18H23NO.C16H34O4S/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h4-12,18H,13-14H2,1-3H3;2-16H2,1H3,(H,17,18,19)