(12cS,12dS)-2,7-ditert-butyl-10-chloranyl-12c,12d-dimethyl-benzo[e]pyrene

Systemtic Name: (12cS,12dS)-2,7-ditert-butyl-10-chloranyl-12c,12d-dimethyl-benzo[e]pyrene Openeye Name: (12cS,12dS)-2,7-ditert-butyl-10-chloro-12c,12d-dimethyl-benzo[e]pyrene CAS Name: (12cS,12dS)-2,7-ditert-butyl-10-chloro-12c,12d-dimethylbenzo[e]pyrene IUPAC Name: (12cS,12dS)-2,7-ditert-butyl-10-chloro-12c,12d-dimethylbenzo[e]pyrene Traditional Name: (12cS,12dS)-2,7-ditert-butyl-10-chloro-12c,12d-dimethyl-benzo[e]pyrene Formula: C30H33Cl MolecularWeight: 429.03602

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC(=CC1=C4C=CC(=CC4=C5C2(C(=CC(=C5)C(C)(C)C)C=C3)C)Cl)C(C)(C)C

Isomeric SMILES

C[C@]12C3=CC(=CC1=C4C=CC(=CC4=C5[C@@]2(C(=CC(=C5)C(C)(C)C)C=C3)C)Cl)C(C)(C)C

InChI

InChI=1S/C30H33Cl/c1-27(2,3)20-13-18-9-10-19-14-21(28(4,5)6)16-26-24-17-22(31)11-12-23(24)25(15-20)29(18,7)30(19,26)8/h9-17H,1-8H3/t29-,30-/m0/s1