(12cR,12dR)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene

Systemtic Name: (12cR,12dR)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene Openeye Name: (12cR,12dR)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene CAS Name: (12cR,12dR)-2,7-ditert-butyl-12c,12d-dimethylbenzo[e]pyrene IUPAC Name: (12cR,12dR)-2,7-ditert-butyl-12c,12d-dimethylbenzo[e]pyrene Traditional Name: (12cR,12dR)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene Formula: C30H34 MolecularWeight: 394.59096

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC=C4C1(C(=CC(=C4)C(C)(C)C)C5=CC=CC=C5C2=CC(=C3)C(C)(C)C)C

Isomeric SMILES

C[C@]12C3=CC=C4[C@@]1(C(=CC(=C4)C(C)(C)C)C5=CC=CC=C5C2=CC(=C3)C(C)(C)C)C

InChI

InChI=1S/C30H34/c1-27(2,3)21-15-19-13-14-20-16-22(28(4,5)6)18-26-24-12-10-9-11-23(24)25(17-21)29(19,7)30(20,26)8/h9-18H,1-8H3/t29-,30-/m1/s1