[4-[(2S,3R)-4-[3,4-di(hexanoyloxy)phenyl]-2,3-dimethyl-butyl]-2-hexanoyloxy-phenyl] hexanoate

Systemtic Name: [4-[(2S,3R)-4-[3,4-di(hexanoyloxy)phenyl]-2,3-dimethyl-butyl]-2-hexanoyloxy-phenyl] hexanoate Openeye Name: [4-[(2S,3R)-4-[3,4-di(hexanoyloxy)phenyl]-2,3-dimethyl-butyl]-2-hexanoyloxy-phenyl] hexanoate CAS Name: hexanoic acid [4-[(2S,3R)-4-[3,4-bis(1-oxohexoxy)phenyl]-2,3-dimethylbutyl]-2-(1-oxohexoxy)phenyl] ester IUPAC Name: [4-[(2S,3R)-4-[3,4-di(hexanoyloxy)phenyl]-2,3-dimethylbutyl]-2-hexanoyloxyphenyl] hexanoate Traditional Name: hexanoic acid [2-caproyloxy-4-[(2S,3R)-4-(3,4-dicaproyloxyphenyl)-2,3-dimethyl-butyl]phenyl] ester Formula: C42H62O8 MolecularWeight: 694.93688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C=C(C=C1)CC(C)C(C)CC2=CC(=C(C=C2)OC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OC1=C(C=C(C=C1)C[C@@H](C)[C@@H](C)CC2=CC(=C(C=C2)OC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC

InChI

InChI=1S/C42H62O8/c1-7-11-15-19-39(43)47-35-25-23-33(29-37(35)49-41(45)21-17-13-9-3)27-31(5)32(6)28-34-24-26-36(48-40(44)20-16-12-8-2)38(30-34)50-42(46)22-18-14-10-4/h23-26,29-32H,7-22,27-28H2,1-6H3/t31-,32+