[4-(4-octoxycarbonylphenyl)phenyl] 4-hexyl-3-isocyano-benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-hexyl-3-isocyano-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-hexyl-3-isocyano-benzoate CAS Name: 4-hexyl-3-isocyanobenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-hexyl-3-isocyanobenzoate Traditional Name: 4-hexyl-3-isocyano-benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C35H41NO4 MolecularWeight: 539.70434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)[N+]#[C-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)[N+]#[C-]

InChI

InChI=1S/C35H41NO4/c1-4-6-8-10-11-13-25-39-34(37)30-18-15-27(16-19-30)28-21-23-32(24-22-28)40-35(38)31-20-17-29(33(26-31)36-3)14-12-9-7-5-2/h15-24,26H,4-14,25H2,1-2H3