4-(4-chlorophenyl)-3-hexyl-5-(1-methoxynonyl)-1H-pyrrole-2-carbaldehyde

Systemtic Name: 4-(4-chlorophenyl)-3-hexyl-5-(1-methoxynonyl)-1H-pyrrole-2-carbaldehyde Openeye Name: 4-(4-chlorophenyl)-3-hexyl-5-(1-methoxynonyl)-1H-pyrrole-2-carbaldehyde CAS Name: 4-(4-chlorophenyl)-3-hexyl-5-(1-methoxynonyl)-1H-pyrrole-2-carboxaldehyde IUPAC Name: 4-(4-chlorophenyl)-3-hexyl-5-(1-methoxynonyl)-1H-pyrrole-2-carbaldehyde Traditional Name: 4-(4-chlorophenyl)-3-hexyl-5-(1-methoxynonyl)-1H-pyrrole-2-carbaldehyde Formula: C27H40ClNO2 MolecularWeight: 446.065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1=C(C(=C(N1)C=O)CCCCCC)C2=CC=C(C=C2)Cl)OC

Isomeric SMILES

CCCCCCCCC(C1=C(C(=C(N1)C=O)CCCCCC)C2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C27H40ClNO2/c1-4-6-8-10-11-13-15-25(31-3)27-26(21-16-18-22(28)19-17-21)23(24(20-30)29-27)14-12-9-7-5-2/h16-20,25,29H,4-15H2,1-3H3