diethyl (3R,4R)-3,4-bis[[4-(4-pentylcyclohexyl)phenyl]carbonyloxy]hexanedioate

Systemtic Name: diethyl (3R,4R)-3,4-bis[[4-(4-pentylcyclohexyl)phenyl]carbonyloxy]hexanedioate Openeye Name: diethyl (3R,4R)-3,4-bis[[4-(4-pentylcyclohexyl)benzoyl]oxy]hexanedioate CAS Name: (3R,4R)-3,4-bis[oxo-[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedioic acid diethyl ester IUPAC Name: diethyl (3R,4R)-3,4-bis[[4-(4-pentylcyclohexyl)benzoyl]oxy]hexanedioate Traditional Name: (3R,4R)-3,4-bis[[4-(4-amylcyclohexyl)benzoyl]oxy]adipic acid diethyl ester Formula: C46H66O8 MolecularWeight: 747.01144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC(CC(=O)OCC)C(CC(=O)OCC)OC(=O)C3=CC=C(C=C3)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O[C@H](CC(=O)OCC)[C@@H](CC(=O)OCC)OC(=O)C3=CC=C(C=C3)C4CCC(CC4)CCCCC

InChI

InChI=1S/C46H66O8/c1-5-9-11-13-33-15-19-35(20-16-33)37-23-27-39(28-24-37)45(49)53-41(31-43(47)51-7-3)42(32-44(48)52-8-4)54-46(50)40-29-25-38(26-30-40)36-21-17-34(18-22-36)14-12-10-6-2/h23-30,33-36,41-42H,5-22,31-32H2,1-4H3/t33?,34?,35?,36?,41-,42-/m1/s1