3,4-bis[[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedioic acid

Systemtic Name: 3,4-bis[[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedioic acid Openeye Name: 3,4-bis[[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedioic acid CAS Name: 3,4-bis[[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedioic acid IUPAC Name: 3,4-bis[[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedioic acid Traditional Name: 3,4-bis[[4-(4-amylcyclohexyl)benzyl]oxy]adipic acid Formula: C42H62O6 MolecularWeight: 662.93808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)COC(CC(=O)O)C(CC(=O)O)OCC3=CC=C(C=C3)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)COC(CC(=O)O)C(CC(=O)O)OCC3=CC=C(C=C3)C4CCC(CC4)CCCCC

InChI

InChI=1S/C42H62O6/c1-3-5-7-9-31-11-19-35(20-12-31)37-23-15-33(16-24-37)29-47-39(27-41(43)44)40(28-42(45)46)48-30-34-17-25-38(26-18-34)36-21-13-32(14-22-36)10-8-6-4-2/h15-18,23-26,31-32,35-36,39-40H,3-14,19-22,27-30H2,1-2H3,(H,43,44)(H,45,46)