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

Systemtic Name: 3,4-bis[[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedinitrile Openeye Name: 3,4-bis[[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedinitrile CAS Name: 3,4-bis[[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedinitrile IUPAC Name: 3,4-bis[[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedinitrile Traditional Name: 3,4-bis[[4-(4-amylcyclohexyl)benzyl]oxy]adiponitrile Formula: C42H60N2O2 MolecularWeight: 624.938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H60N2O2/c1-3-5-7-9-33-11-19-37(20-12-33)39-23-15-35(16-24-39)31-45-41(27-29-43)42(28-30-44)46-32-36-17-25-40(26-18-36)38-21-13-34(14-22-38)10-8-6-4-2/h15-18,23-26,33-34,37-38,41-42H,3-14,19-22,27-28,31-32H2,1-2H3