1-[3-(diphenylmethyl)oxy-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyloctadecan-2-yl hexadecanoate

Systemtic Name: 1-[3-(diphenylmethyl)oxy-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyloctadecan-2-yl hexadecanoate Openeye Name: 1-[[3-benzhydryloxy-2-(hexadecanoylamino)-3-oxo-propyl]sulfanylmethyl]heptadecyl hexadecanoate CAS Name: hexadecanoic acid 1-[[3-(diphenylmethyl)oxy-3-oxo-2-(1-oxohexadecylamino)propyl]thio]octadecan-2-yl ester IUPAC Name: 1-[3-benzhydryloxy-2-(hexadecanoylamino)-3-oxopropyl]sulfanyloctadecan-2-yl hexadecanoate Traditional Name: palmitic acid 1-[[(3-benzhydryloxy-3-keto-2-palmitamido-propyl)thio]methyl]heptadecyl ester Formula: C66H113NO5S MolecularWeight: 1032.67212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CSCC(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CSCC(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C66H113NO5S/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-47-54-61(71-64(69)56-49-40-37-34-31-27-24-21-18-15-12-9-6-3)57-73-58-62(66(70)72-65(59-50-43-41-44-51-59)60-52-45-42-46-53-60)67-63(68)55-48-39-36-33-30-26-23-20-17-14-11-8-5-2/h41-46,50-53,61-62,65H,4-40,47-49,54-58H2,1-3H3,(H,67,68)