dioctyl (3R,4R)-3,4-bis[4-(4-pentylcyclohexyl)phenoxy]hexanedioate

Systemtic Name: dioctyl (3R,4R)-3,4-bis[4-(4-pentylcyclohexyl)phenoxy]hexanedioate Openeye Name: dioctyl (3R,4R)-3,4-bis[4-(4-pentylcyclohexyl)phenoxy]hexanedioate CAS Name: (3R,4R)-3,4-bis[4-(4-pentylcyclohexyl)phenoxy]hexanedioic acid dioctyl ester IUPAC Name: dioctyl (3R,4R)-3,4-bis[4-(4-pentylcyclohexyl)phenoxy]hexanedioate Traditional Name: (3R,4R)-3,4-bis[4-(4-amylcyclohexyl)phenoxy]adipic acid dioctyl ester Formula: C56H90O6 MolecularWeight: 859.3102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(CC(=O)OCCCCCCCC)OC1=CC=C(C=C1)C2CCC(CC2)CCCCC)OC3=CC=C(C=C3)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C[C@H]([C@@H](CC(=O)OCCCCCCCC)OC1=CC=C(C=C1)C2CCC(CC2)CCCCC)OC3=CC=C(C=C3)C4CCC(CC4)CCCCC

InChI

InChI=1S/C56H90O6/c1-5-9-13-15-17-21-41-59-55(57)43-53(61-51-37-33-49(34-38-51)47-29-25-45(26-30-47)23-19-11-7-3)54(44-56(58)60-42-22-18-16-14-10-6-2)62-52-39-35-50(36-40-52)48-31-27-46(28-32-48)24-20-12-8-4/h33-40,45-48,53-54H,5-32,41-44H2,1-4H3/t45?,46?,47?,48?,53-,54-/m1/s1