5-chloranyl-2-[4-(4-octylphenyl)phenyl]isoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-[4-(4-octylphenyl)phenyl]isoindole-1,3-dione Openeye Name: 5-chloro-2-[4-(4-octylphenyl)phenyl]isoindoline-1,3-dione CAS Name: 5-chloro-2-[4-(4-octylphenyl)phenyl]isoindole-1,3-dione IUPAC Name: 5-chloro-2-[4-(4-octylphenyl)phenyl]isoindole-1,3-dione Traditional Name: 5-chloro-2-[4-(4-octylphenyl)phenyl]isoindoline-1,3-quinone Formula: C28H28ClNO2 MolecularWeight: 445.98042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C28H28ClNO2/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-16-24(17-14-22)30-27(31)25-18-15-23(29)19-26(25)28(30)32/h9-19H,2-8H2,1H3