6-chloranyl-7-methyl-benzo[a]pyrene

Systemtic Name: 6-chloranyl-7-methyl-benzo[a]pyrene Openeye Name: 6-chloro-7-methyl-benzo[a]pyrene CAS Name: 6-chloro-7-methylbenzo[a]pyrene IUPAC Name: 6-chloro-7-methylbenzo[a]pyrene Traditional Name: 6-chloro-7-methyl-benzo[a]pyrene Formula: C21H13Cl MolecularWeight: 300.78092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C3C=CC4=C5C3=C(C=CC5=CC=C4)C(=C12)Cl

Isomeric SMILES

CC1=CC=CC2=C3C=CC4=C5C3=C(C=CC5=CC=C4)C(=C12)Cl

InChI

InChI=1S/C21H13Cl/c1-12-4-2-7-15-16-10-8-13-5-3-6-14-9-11-17(20(16)19(13)14)21(22)18(12)15/h2-11H,1H3