[4-[(3S,4R)-4-(4-octanoyloxyphenyl)hexan-3-yl]phenyl] octanoate

Systemtic Name: [4-[(3S,4R)-4-(4-octanoyloxyphenyl)hexan-3-yl]phenyl] octanoate Openeye Name: [4-[(1S,2R)-1-ethyl-2-(4-octanoyloxyphenyl)butyl]phenyl] octanoate CAS Name: octanoic acid [4-[(3S,4R)-4-[4-(1-oxooctoxy)phenyl]hexan-3-yl]phenyl] ester IUPAC Name: [4-[(3S,4R)-4-(4-octanoyloxyphenyl)hexan-3-yl]phenyl] octanoate Traditional Name: caprylic acid [4-[(1S,2R)-2-(4-caprylyloxyphenyl)-1-ethyl-butyl]phenyl] ester Formula: C34H50O4 MolecularWeight: 522.7584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C(CC)C(CC)C2=CC=C(C=C2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)[C@@H](CC)[C@@H](CC)C2=CC=C(C=C2)OC(=O)CCCCCCC

InChI

InChI=1S/C34H50O4/c1-5-9-11-13-15-17-33(35)37-29-23-19-27(20-24-29)31(7-3)32(8-4)28-21-25-30(26-22-28)38-34(36)18-16-14-12-10-6-2/h19-26,31-32H,5-18H2,1-4H3/t31-,32+