[2,3,4,5,6-penta(octanoyloxy)phenyl] octanoate

Systemtic Name: [2,3,4,5,6-penta(octanoyloxy)phenyl] octanoate Openeye Name: [2,3,4,5,6-penta(octanoyloxy)phenyl] octanoate CAS Name: octanoic acid [2,3,4,5,6-pentakis(1-oxooctoxy)phenyl] ester IUPAC Name: [2,3,4,5,6-penta(octanoyloxy)phenyl] octanoate Traditional Name: caprylic acid (2,3,4,5,6-pentacaprylyloxyphenyl) ester Formula: C54H90O12 MolecularWeight: 931.2852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=C(C(=C1OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=C(C(=C1OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC

InChI

InChI=1S/C54H90O12/c1-7-13-19-25-31-37-43(55)61-49-50(62-44(56)38-32-26-20-14-8-2)52(64-46(58)40-34-28-22-16-10-4)54(66-48(60)42-36-30-24-18-12-6)53(65-47(59)41-35-29-23-17-11-5)51(49)63-45(57)39-33-27-21-15-9-3/h7-42H2,1-6H3