[1-[16-(oxan-2-yloxy)hexadecoxy]-3-phenylmethoxy-propan-2-yl] octanoate

Systemtic Name: [1-[16-(oxan-2-yloxy)hexadecoxy]-3-phenylmethoxy-propan-2-yl] octanoate Openeye Name: [1-(benzyloxymethyl)-2-(16-tetrahydropyran-2-yloxyhexadecoxy)ethyl] octanoate CAS Name: octanoic acid [1-[16-(2-oxanyloxy)hexadecoxy]-3-phenylmethoxypropan-2-yl] ester IUPAC Name: [1-[16-(oxan-2-yloxy)hexadecoxy]-3-phenylmethoxypropan-2-yl] octanoate Traditional Name: caprylic acid [1-(benzoxymethyl)-2-(16-tetrahydropyran-2-yloxyhexadecoxy)ethyl] ester Formula: C39H68O6 MolecularWeight: 632.95362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCOC1CCCCO1)COCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCOC1CCCCO1)COCC2=CC=CC=C2

InChI

InChI=1S/C39H68O6/c1-2-3-4-15-21-28-38(40)45-37(35-42-33-36-26-19-18-20-27-36)34-41-30-23-16-13-11-9-7-5-6-8-10-12-14-17-24-31-43-39-29-22-25-32-44-39/h18-20,26-27,37,39H,2-17,21-25,28-35H2,1H3