2-benzo[b]pyren-6-ylcyclohexan-1-ol

Systemtic Name: 2-benzo[b]pyren-6-ylcyclohexan-1-ol Openeye Name: 2-benzo[b]pyren-6-ylcyclohexanol CAS Name: 2-(6-benzo[b]pyrenyl)-1-cyclohexanol IUPAC Name: 2-benzo[b]pyren-6-ylcyclohexan-1-ol Traditional Name: 2-benzo[b]pyren-6-ylcyclohexanol Formula: C26H22O MolecularWeight: 350.45228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62)O

Isomeric SMILES

C1CCC(C(C1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62)O

InChI

InChI=1S/C26H22O/c27-23-11-4-3-10-21(23)25-19-9-2-1-8-18(19)20-14-12-16-6-5-7-17-13-15-22(25)26(20)24(16)17/h1-2,5-9,12-15,21,23,27H,3-4,10-11H2