1-[4,4-bis[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-butyl-benzene

Systemtic Name: 1-[4,4-bis[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-butyl-benzene Openeye Name: 1-[4,4-bis[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-butyl-benzene CAS Name: 1-[4,4-bis[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-butylbenzene IUPAC Name: 1-[4,4-bis[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-butylbenzene Traditional Name: 1-[4,4-bis[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-butyl-benzene Formula: C40H38N2O6 MolecularWeight: 642.73952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)(C3=CC=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)(C3=CC=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C40H38N2O6/c1-2-3-4-29-5-7-30(8-6-29)31-25-27-40(28-26-31,32-9-17-36(18-10-32)47-38-21-13-34(14-22-38)41(43)44)33-11-19-37(20-12-33)48-39-23-15-35(16-24-39)42(45)46/h5-24,31H,2-4,25-28H2,1H3