2,2-dimethyl-1-(7-oxidanyl-9,10-dihydro-8H-benzo[a]pyren-7-yl)propan-1-one

Systemtic Name: 2,2-dimethyl-1-(7-oxidanyl-9,10-dihydro-8H-benzo[a]pyren-7-yl)propan-1-one Openeye Name: 1-(7-hydroxy-9,10-dihydro-8H-benzo[a]pyren-7-yl)-2,2-dimethyl-propan-1-one CAS Name: 1-(7-hydroxy-9,10-dihydro-8H-benzo[a]pyren-7-yl)-2,2-dimethyl-1-propanone IUPAC Name: 1-(7-hydroxy-9,10-dihydro-8H-benzo[a]pyren-7-yl)-2,2-dimethylpropan-1-one Traditional Name: 1-(7-hydroxy-9,10-dihydro-8H-benzo[a]pyren-7-yl)-2,2-dimethyl-propan-1-one Formula: C25H24O2 MolecularWeight: 356.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1(CCCC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4)O

Isomeric SMILES

CC(C)(C)C(=O)C1(CCCC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4)O

InChI

InChI=1S/C25H24O2/c1-24(2,3)23(26)25(27)13-5-8-18-19-12-11-16-7-4-6-15-9-10-17(14-20(18)25)22(19)21(15)16/h4,6-7,9-12,14,27H,5,8,13H2,1-3H3