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

Systemtic Name: [4-(4-nonanoyloxyphenyl)phenyl] 4-hexyl-3-isocyano-benzoate Openeye Name: [4-(4-nonanoyloxyphenyl)phenyl] 4-hexyl-3-isocyano-benzoate CAS Name: 4-hexyl-3-isocyanobenzoic acid [4-[4-(1-oxononoxy)phenyl]phenyl] ester IUPAC Name: [4-(4-nonanoyloxyphenyl)phenyl] 4-hexyl-3-isocyanobenzoate Traditional Name: 4-hexyl-3-isocyano-benzoic acid [4-(4-pelargonyloxyphenyl)phenyl] ester Formula: C35H41NO4 MolecularWeight: 539.70434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)[N+]#[C-]

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)[N+]#[C-]

InChI

InChI=1S/C35H41NO4/c1-4-6-8-10-11-13-15-34(37)39-31-22-18-27(19-23-31)28-20-24-32(25-21-28)40-35(38)30-17-16-29(33(26-30)36-3)14-12-9-7-5-2/h16-26H,4-15H2,1-2H3