2-(6-chloranylbenzo[a]pyren-1-yl)cyclohexan-1-one

Systemtic Name: 2-(6-chloranylbenzo[a]pyren-1-yl)cyclohexan-1-one Openeye Name: 2-(6-chlorobenzo[a]pyren-1-yl)cyclohexanone CAS Name: 2-(6-chloro-1-benzo[a]pyrenyl)-1-cyclohexanone IUPAC Name: 2-(6-chlorobenzo[a]pyren-1-yl)cyclohexan-1-one Traditional Name: 2-(6-chlorobenzo[a]pyren-1-yl)cyclohexanone Formula: C26H19ClO MolecularWeight: 382.88146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C6=CC=CC=C46)Cl

Isomeric SMILES

C1CCC(=O)C(C1)C2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C6=CC=CC=C46)Cl

InChI

InChI=1S/C26H19ClO/c27-26-21-7-2-1-5-16(21)20-14-13-19-17(18-6-3-4-8-23(18)28)11-9-15-10-12-22(26)25(20)24(15)19/h1-2,5,7,9-14,18H,3-4,6,8H2