5'-methylidenespiro[11,12-dihydro-9H-benzo[e]pyrene-10,4'-pyrene]

Systemtic Name: 5'-methylidenespiro[11,12-dihydro-9H-benzo[e]pyrene-10,4'-pyrene] Openeye Name: 5'-methylenespiro[11,12-dihydro-9H-benzo[e]pyrene-10,4'-pyrene] CAS Name: 5'-methylenespiro[11,12-dihydro-9H-benzo[e]pyrene-10,4'-pyrene] IUPAC Name: 5'-methylidenespiro[11,12-dihydro-9H-benzo[e]pyrene-10,4'-pyrene] Traditional Name: 5'-methylenespiro[11,12-dihydro-9H-benzo[e]pyrene-10,4'-pyrene] Formula: C36H24 MolecularWeight: 456.57576

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC3=C2C4=C(C=CC=C4C15CCC6=C(C5)C7=CC=CC8=C7C9=C(C=CC=C69)C=C8)C=C3

Isomeric SMILES

C=C1C2=CC=CC3=C2C4=C(C=CC=C4C15CCC6=C(C5)C7=CC=CC8=C7C9=C(C=CC=C69)C=C8)C=C3

InChI

InChI=1S/C36H24/c1-21-26-10-2-6-22-16-17-25-9-5-13-31(35(25)32(22)26)36(21)19-18-27-28-11-3-7-23-14-15-24-8-4-12-29(30(27)20-36)34(24)33(23)28/h2-17H,1,18-20H2