2-(chrysen-6-ylmethyl)isoindole-1,3-dione

Systemtic Name: 2-(chrysen-6-ylmethyl)isoindole-1,3-dione Openeye Name: 2-(chrysen-6-ylmethyl)isoindoline-1,3-dione CAS Name: 2-(6-chrysenylmethyl)isoindole-1,3-dione IUPAC Name: 2-(chrysen-6-ylmethyl)isoindole-1,3-dione Traditional Name: 2-(chrysen-6-ylmethyl)isoindoline-1,3-quinone Formula: C27H17NO2 MolecularWeight: 387.42938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C27H17NO2/c29-26-23-11-5-6-12-24(23)27(30)28(26)16-18-15-25-19-8-2-1-7-17(19)13-14-22(25)21-10-4-3-9-20(18)21/h1-15H,16H2