[(12bS,12cS)-12b,12c-dimethyl-9,10-dihydro-8H-benzo[a]pyren-7-ylidene]oxidanium

Systemtic Name: [(12bS,12cS)-12b,12c-dimethyl-9,10-dihydro-8H-benzo[a]pyren-7-ylidene]oxidanium Openeye Name: [(12bS,12cS)-12b,12c-dimethyl-9,10-dihydro-8H-benzo[a]pyren-7-ylidene]oxonium CAS Name: [(12bS,12cS)-12b,12c-dimethyl-9,10-dihydro-8H-benzo[a]pyren-7-ylidene]oxonium IUPAC Name: [(12bS,12cS)-12b,12c-dimethyl-9,10-dihydro-8H-benzo[a]pyren-7-ylidene]oxidanium Traditional Name: [(12bS,12cS)-12b,12c-dimethyl-9,10-dihydro-8H-benzo[a]pyren-7-ylidene]oxonium Formula: C22H21O+ MolecularWeight: 301.40154

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC=C4C1(C(=C5CCCC(=[OH+])C5=C4)C=CC2=CC=C3)C

Isomeric SMILES

C[C@@]12C3=CC=C4[C@]1(C(=C5CCCC(=[OH+])C5=C4)C=CC2=CC=C3)C

InChI

InChI=1S/C22H20O/c1-21-14-5-3-6-15(21)11-12-19-17-7-4-8-20(23)18(17)13-16(10-9-14)22(19,21)2/h3,5-6,9-13H,4,7-8H2,1-2H3/p+1/t21-,22-/m0/s1