dimethyl-[4-[(1R)-2-phenyl-1-(tetradecanoylamino)ethoxy]phenyl]sulfanium; methyl sulfate

Systemtic Name: dimethyl-[4-[(1R)-2-phenyl-1-(tetradecanoylamino)ethoxy]phenyl]sulfanium; methyl sulfate Openeye Name: dimethyl-[4-[(1R)-2-phenyl-1-(tetradecanoylamino)ethoxy]phenyl]sulfonium; methyl sulfate CAS Name: dimethyl-[4-[(1R)-1-(1-oxotetradecylamino)-2-phenylethoxy]phenyl]sulfonium; methyl sulfate IUPAC Name: dimethyl-[4-[(1R)-2-phenyl-1-(tetradecanoylamino)ethoxy]phenyl]sulfanium; methyl sulfate Traditional Name: dimethyl-[4-[(1R)-2-phenyl-1-(tetradecanoylamino)ethoxy]phenyl]sulfonium; methyl sulfate Formula: C31H49NO6S2 MolecularWeight: 595.85386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)OC2=CC=C(C=C2)[S+](C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)OC2=CC=C(C=C2)[S+](C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C30H45NO2S.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-17-20-29(32)31-30(25-26-18-15-14-16-19-26)33-27-21-23-28(24-22-27)34(2)3;1-5-6(2,3)4/h14-16,18-19,21-24,30H,4-13,17,20,25H2,1-3H3;1H3,(H,2,3,4)/t30-;/m1./s1