2-isocyano-4-(4-octoxyphenyl)-1-(4-pentylphenyl)benzene

Systemtic Name: 2-isocyano-4-(4-octoxyphenyl)-1-(4-pentylphenyl)benzene Openeye Name: 2-isocyano-4-(4-octoxyphenyl)-1-(4-pentylphenyl)benzene CAS Name: 2-isocyano-4-(4-octoxyphenyl)-1-(4-pentylphenyl)benzene IUPAC Name: 2-isocyano-4-(4-octoxyphenyl)-1-(4-pentylphenyl)benzene Traditional Name: 1-(4-amylphenyl)-2-isocyano-4-(4-octoxyphenyl)benzene Formula: C32H39NO MolecularWeight: 453.65816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CCCCC)[N+]#[C-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CCCCC)[N+]#[C-]

InChI

InChI=1S/C32H39NO/c1-4-6-8-9-10-12-24-34-30-21-18-27(19-22-30)29-20-23-31(32(25-29)33-3)28-16-14-26(15-17-28)13-11-7-5-2/h14-23,25H,4-13,24H2,1-2H3