dimethyl (3R,4R)-3,4-bis[[4-(4-hexoxyphenyl)carbonyloxyphenyl]carbonyloxy]hexanedioate

Systemtic Name: dimethyl (3R,4R)-3,4-bis[[4-(4-hexoxyphenyl)carbonyloxyphenyl]carbonyloxy]hexanedioate Openeye Name: dimethyl (3R,4R)-3,4-bis[[4-(4-hexoxybenzoyl)oxybenzoyl]oxy]hexanedioate CAS Name: (3R,4R)-3,4-bis[[4-[(4-hexoxyphenyl)-oxomethoxy]phenyl]-oxomethoxy]hexanedioic acid dimethyl ester IUPAC Name: dimethyl (3R,4R)-3,4-bis[[4-(4-hexoxybenzoyl)oxybenzoyl]oxy]hexanedioate Traditional Name: (3R,4R)-3,4-bis[[4-(4-hexoxybenzoyl)oxybenzoyl]oxy]adipic acid dimethyl ester Formula: C48H54O14 MolecularWeight: 854.93396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(CC(=O)OC)C(CC(=O)OC)OC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCCCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O[C@H](CC(=O)OC)[C@@H](CC(=O)OC)OC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCCCCCC

InChI

InChI=1S/C48H54O14/c1-5-7-9-11-29-57-37-21-13-33(14-22-37)45(51)59-39-25-17-35(18-26-39)47(53)61-41(31-43(49)55-3)42(32-44(50)56-4)62-48(54)36-19-27-40(28-20-36)60-46(52)34-15-23-38(24-16-34)58-30-12-10-8-6-2/h13-28,41-42H,5-12,29-32H2,1-4H3/t41-,42-/m1/s1