6,7,8-triisocyanato-4,5-dihydrobenzo[e]pyrene

Systemtic Name: 6,7,8-triisocyanato-4,5-dihydrobenzo[e]pyrene Openeye Name: 6,7,8-triisocyanato-4,5-dihydrobenzo[e]pyrene CAS Name: 6,7,8-triisocyanato-4,5-dihydrobenzo[e]pyrene IUPAC Name: 6,7,8-triisocyanato-4,5-dihydrobenzo[e]pyrene Traditional Name: 6,7,8-triisocyanato-4,5-dihydrobenzo[e]pyrene Formula: C23H11N3O3 MolecularWeight: 377.35174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C(C3=C2C4=C(C=CC=C41)C5=CC=CC=C53)N=C=O)N=C=O)N=C=O

Isomeric SMILES

C1CC2=C(C(=C(C3=C2C4=C(C=CC=C41)C5=CC=CC=C53)N=C=O)N=C=O)N=C=O

InChI

InChI=1S/C23H11N3O3/c27-10-24-21-17-9-8-13-4-3-7-15-14-5-1-2-6-16(14)20(19(17)18(13)15)22(25-11-28)23(21)26-12-29/h1-7H,8-9H2