3-(6-chloranylbenzo[a]pyren-1-yl)cyclohexan-1-ol

Systemtic Name: 3-(6-chloranylbenzo[a]pyren-1-yl)cyclohexan-1-ol Openeye Name: 3-(6-chlorobenzo[a]pyren-1-yl)cyclohexanol CAS Name: 3-(6-chloro-1-benzo[a]pyrenyl)-1-cyclohexanol IUPAC Name: 3-(6-chlorobenzo[a]pyren-1-yl)cyclohexan-1-ol Traditional Name: 3-(6-chlorobenzo[a]pyren-1-yl)cyclohexanol Formula: C26H21ClO MolecularWeight: 384.89734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)O)C2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C6=CC=CC=C46)Cl

Isomeric SMILES

C1CC(CC(C1)O)C2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C6=CC=CC=C46)Cl

InChI

InChI=1S/C26H21ClO/c27-26-22-7-2-1-6-19(22)21-13-12-20-18(16-4-3-5-17(28)14-16)10-8-15-9-11-23(26)25(21)24(15)20/h1-2,6-13,16-17,28H,3-5,14H2