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

Systemtic Name: 4-chloranyl-2-[4-(4-octylphenyl)phenyl]isoindole-1,3-dione Openeye Name: 4-chloro-2-[4-(4-octylphenyl)phenyl]isoindoline-1,3-dione CAS Name: 4-chloro-2-[4-(4-octylphenyl)phenyl]isoindole-1,3-dione IUPAC Name: 4-chloro-2-[4-(4-octylphenyl)phenyl]isoindole-1,3-dione Traditional Name: 4-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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClNO2/c1-2-3-4-5-6-7-9-20-12-14-21(15-13-20)22-16-18-23(19-17-22)30-27(31)24-10-8-11-25(29)26(24)28(30)32/h8,10-19H,2-7,9H2,1H3