[5-(hexadecanoylamino)-3-oxidanyl-4-phenylmethoxy-6-prop-2-enoxy-oxan-2-yl]methyl hexadecanoate

Systemtic Name: [5-(hexadecanoylamino)-3-oxidanyl-4-phenylmethoxy-6-prop-2-enoxy-oxan-2-yl]methyl hexadecanoate Openeye Name: [6-allyloxy-4-benzyloxy-5-(hexadecanoylamino)-3-hydroxy-tetrahydropyran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [3-hydroxy-5-(1-oxohexadecylamino)-4-phenylmethoxy-6-prop-2-enoxy-2-oxanyl]methyl ester IUPAC Name: [5-(hexadecanoylamino)-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid (6-allyloxy-4-benzoxy-3-hydroxy-5-palmitamido-tetrahydropyran-2-yl)methyl ester Formula: C48H83NO7 MolecularWeight: 786.17512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OCC=C)COC(=O)CCCCCCCCCCCCCCC)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OCC=C)COC(=O)CCCCCCCCCCCCCCC)O)OCC2=CC=CC=C2

InChI

InChI=1S/C48H83NO7/c1-4-7-9-11-13-15-17-19-21-23-25-27-32-36-43(50)49-45-47(55-39-41-34-30-29-31-35-41)46(52)42(56-48(45)53-38-6-3)40-54-44(51)37-33-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,29-31,34-35,42,45-48,52H,3-5,7-28,32-33,36-40H2,1-2H3,(H,49,50)