1,3,6-trimethylbenzo[a]pyrene

Systemtic Name: 1,3,6-trimethylbenzo[a]pyrene Openeye Name: 1,3,6-trimethylbenzo[a]pyrene CAS Name: 1,3,6-trimethylbenzo[a]pyrene IUPAC Name: 1,3,6-trimethylbenzo[a]pyrene Traditional Name: 1,3,6-trimethylbenzo[a]pyrene Formula: C23H18 MolecularWeight: 294.38902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C1C=C5)C)C

Isomeric SMILES

CC1=CC(=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C1C=C5)C)C

InChI

InChI=1S/C23H18/c1-13-12-14(2)17-9-11-21-20-7-5-4-6-18(20)15(3)19-10-8-16(13)22(17)23(19)21/h4-12H,1-3H3