(12bS,12cR)-12b,12c-dimethyl-7,8,9,10-tetrahydrobenzo[a]pyrene

Systemtic Name: (12bS,12cR)-12b,12c-dimethyl-7,8,9,10-tetrahydrobenzo[a]pyrene Openeye Name: (12bS,12cR)-12b,12c-dimethyl-7,8,9,10-tetrahydrobenzo[a]pyrene CAS Name: (12bS,12cR)-12b,12c-dimethyl-7,8,9,10-tetrahydrobenzo[a]pyrene IUPAC Name: (12bS,12cR)-12b,12c-dimethyl-7,8,9,10-tetrahydrobenzo[a]pyrene Traditional Name: (12bS,12cR)-12b,12c-dimethyl-7,8,9,10-tetrahydrobenzo[a]pyrene Formula: C22H22 MolecularWeight: 286.41008

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC=C4C1(C(=C5CCCCC5=C4)C=CC2=CC=C3)C

Isomeric SMILES

C[C@@]12C3=CC=C4[C@@]1(C(=C5CCCCC5=C4)C=CC2=CC=C3)C

InChI

InChI=1S/C22H22/c1-21-16-7-5-8-17(21)12-13-20-19-9-4-3-6-15(19)14-18(11-10-16)22(20,21)2/h5,7-8,10-14H,3-4,6,9H2,1-2H3/t21-,22+/m0/s1