bis(2-methylbenzo[a]pyren-1-yl)methanone

Systemtic Name: bis(2-methylbenzo[a]pyren-1-yl)methanone Openeye Name: bis(2-methylbenzo[a]pyren-1-yl)methanone CAS Name: bis(2-methyl-1-benzo[a]pyrenyl)methanone IUPAC Name: bis(2-methylbenzo[a]pyren-1-yl)methanone Traditional Name: bis(2-methylbenzo[a]pyren-1-yl)methanone Formula: C43H26O MolecularWeight: 558.66594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C3C(=C1)C=CC4=CC5=CC=CC=C5C(=C43)C=C2)C(=O)C6=C(C=C7C=CC8=CC9=CC=CC=C9C1=C8C7=C6C=C1)C

Isomeric SMILES

CC1=C(C2=C3C(=C1)C=CC4=CC5=CC=CC=C5C(=C43)C=C2)C(=O)C6=C(C=C7C=CC8=CC9=CC=CC=C9C1=C8C7=C6C=C1)C

InChI

InChI=1S/C43H26O/c1-23-19-27-11-13-29-21-25-7-3-5-9-31(25)33-15-17-35(41(27)39(29)33)37(23)43(44)38-24(2)20-28-12-14-30-22-26-8-4-6-10-32(26)34-16-18-36(38)42(28)40(30)34/h3-22H,1-2H3