[4-[(4-thiocyanatophenyl)iminomethyl]phenyl] 4-hexylbenzoate

Systemtic Name: [4-[(4-thiocyanatophenyl)iminomethyl]phenyl] 4-hexylbenzoate Openeye Name: [4-[(4-thiocyanatophenyl)iminomethyl]phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(4-thiocyanatophenyl)iminomethyl]phenyl] ester IUPAC Name: [4-[(4-thiocyanatophenyl)iminomethyl]phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[(4-thiocyanatophenyl)iminomethyl]phenyl] ester Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C27H26N2O2S/c1-2-3-4-5-6-21-7-11-23(12-8-21)27(30)31-25-15-9-22(10-16-25)19-29-24-13-17-26(18-14-24)32-20-28/h7-19H,2-6H2,1H3