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

Systemtic Name: ethyl (12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene-10-carboxylate Openeye Name: ethyl (12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene-10-carboxylate CAS Name: (12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-10-benzo[e]pyrenecarboxylic acid ethyl ester IUPAC Name: ethyl (12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethylbenzo[e]pyrene-10-carboxylate Traditional Name: (12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene-10-carboxylic acid ethyl ester Formula: C33H38O2 MolecularWeight: 466.65362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C3C=C(C=C4C3(C5(C(=CC(=CC5=C2C=C1)C(C)(C)C)C=C4)C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C3C=C(C=C4[C@@]3([C@]5(C(=CC(=CC5=C2C=C1)C(C)(C)C)C=C4)C)C)C(C)(C)C

InChI

InChI=1S/C33H38O2/c1-10-35-29(34)20-11-14-25-26(15-20)28-19-24(31(5,6)7)17-22-13-12-21-16-23(30(2,3)4)18-27(25)32(21,8)33(22,28)9/h11-19H,10H2,1-9H3/t32-,33-/m0/s1