2-[[5-[4-[[4-[5-(2-cyano-2-methyl-hexyl)-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]phenyl]methoxymethyl]phenyl]-6-oxidanylidene-cyclohexa-2,4-dien-1-yl]methyl]-2-methyl-hexanenitrile

Systemtic Name: 2-[[5-[4-[[4-[5-(2-cyano-2-methyl-hexyl)-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]phenyl]methoxymethyl]phenyl]-6-oxidanylidene-cyclohexa-2,4-dien-1-yl]methyl]-2-methyl-hexanenitrile Openeye Name: 2-[[5-[4-[[4-[5-(2-cyano-2-methyl-hexyl)-6-oxo-cyclohexa-1,3-dien-1-yl]phenyl]methoxymethyl]phenyl]-6-oxo-cyclohexa-2,4-dien-1-yl]methyl]-2-methyl-hexanenitrile CAS Name: 2-[[5-[4-[[4-[5-(2-cyano-2-methylhexyl)-6-oxo-1-cyclohexa-1,3-dienyl]phenyl]methoxymethyl]phenyl]-6-oxo-1-cyclohexa-2,4-dienyl]methyl]-2-methylhexanenitrile IUPAC Name: 2-[[5-[4-[[4-[5-(2-cyano-2-methylhexyl)-6-oxocyclohexa-1,3-dien-1-yl]phenyl]methoxymethyl]phenyl]-6-oxocyclohexa-2,4-dien-1-yl]methyl]-2-methylhexanenitrile Traditional Name: 2-[[5-[4-[[4-[5-(2-cyano-2-methyl-hexyl)-6-keto-cyclohexa-1,3-dien-1-yl]benzyl]oxymethyl]phenyl]-6-keto-cyclohexa-2,4-dien-1-yl]methyl]-2-methyl-hexanenitrile Formula: C42H48N2O3 MolecularWeight: 628.84212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC1C=CC=C(C1=O)C2=CC=C(C=C2)COCC3=CC=C(C=C3)C4=CC=CC(C4=O)CC(C)(CCCC)C#N)C#N

Isomeric SMILES

CCCCC(C)(CC1C=CC=C(C1=O)C2=CC=C(C=C2)COCC3=CC=C(C=C3)C4=CC=CC(C4=O)CC(C)(CCCC)C#N)C#N

InChI

InChI=1S/C42H48N2O3/c1-5-7-23-41(3,29-43)25-35-11-9-13-37(39(35)45)33-19-15-31(16-20-33)27-47-28-32-17-21-34(22-18-32)38-14-10-12-36(40(38)46)26-42(4,30-44)24-8-6-2/h9-22,35-36H,5-8,23-28H2,1-4H3