(12cS,12dS)-2,7-ditert-butyl-N-methoxy-N,12c,12d-trimethyl-benzo[e]pyrene-10-carboxamide

Systemtic Name: (12cS,12dS)-2,7-ditert-butyl-N-methoxy-N,12c,12d-trimethyl-benzo[e]pyrene-10-carboxamide Openeye Name: (12cS,12dS)-2,7-ditert-butyl-N-methoxy-N,12c,12d-trimethyl-benzo[e]pyrene-10-carboxamide CAS Name: (12cS,12dS)-2,7-ditert-butyl-N-methoxy-N,12c,12d-trimethyl-10-benzo[e]pyrenecarboxamide IUPAC Name: (12cS,12dS)-2,7-ditert-butyl-N-methoxy-N,12c,12d-trimethylbenzo[e]pyrene-10-carboxamide Traditional Name: (12cS,12dS)-2,7-ditert-butyl-N-methoxy-N,12c,12d-trimethyl-benzo[e]pyrene-10-carboxamide Formula: C33H39NO2 MolecularWeight: 481.66826

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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)C(=O)N(C)OC)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)C(=O)N(C)OC)C(C)(C)C

InChI

InChI=1S/C33H39NO2/c1-30(2,3)23-16-21-12-13-22-17-24(31(4,5)6)19-28-26-15-20(29(35)34(9)36-10)11-14-25(26)27(18-23)32(21,7)33(22,28)8/h11-19H,1-10H3/t32-,33-/m0/s1