1-adamantyl-(7-oxidanyl-9,10-dihydro-8H-benzo[a]pyren-7-yl)methanone

Systemtic Name: 1-adamantyl-(7-oxidanyl-9,10-dihydro-8H-benzo[a]pyren-7-yl)methanone Openeye Name: 1-adamantyl-(7-hydroxy-9,10-dihydro-8H-benzo[a]pyren-7-yl)methanone CAS Name: 1-adamantyl-(7-hydroxy-9,10-dihydro-8H-benzo[a]pyren-7-yl)methanone IUPAC Name: 1-adamantyl-(7-hydroxy-9,10-dihydro-8H-benzo[a]pyren-7-yl)methanone Traditional Name: 1-adamantyl-(7-hydroxy-9,10-dihydro-8H-benzo[a]pyren-7-yl)methanone Formula: C31H30O2 MolecularWeight: 434.5687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=CC=C4)C(C1)(C(=O)C67CC8CC(C6)CC(C8)C7)O

Isomeric SMILES

C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=CC=C4)C(C1)(C(=O)C67CC8CC(C6)CC(C8)C7)O

InChI

InChI=1S/C31H30O2/c32-29(30-15-18-11-19(16-30)13-20(12-18)17-30)31(33)10-2-5-24-25-9-8-22-4-1-3-21-6-7-23(14-26(24)31)28(25)27(21)22/h1,3-4,6-9,14,18-20,33H,2,5,10-13,15-17H2