ethyl (12cR,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene-5-carboxylate

Systemtic Name: ethyl (12cR,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene-5-carboxylate Openeye Name: ethyl (12cR,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene-5-carboxylate CAS Name: (12cR,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-5-benzo[e]pyrenecarboxylic acid ethyl ester IUPAC Name: ethyl (12cR,12dS)-2,7-ditert-butyl-12c,12d-dimethylbenzo[e]pyrene-5-carboxylate Traditional Name: (12cR,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyrene-5-carboxylic acid ethyl ester Formula: C33H38O2 MolecularWeight: 466.65362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=C3C2(C4(C(=C1)C=C(C=C4C5=CC=CC=C53)C(C)(C)C)C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=C3[C@@]2([C@@]4(C(=C1)C=C(C=C4C5=CC=CC=C53)C(C)(C)C)C)C)C(C)(C)C

InChI

InChI=1S/C33H38O2/c1-10-35-29(34)25-16-22-15-20(30(2,3)4)17-26-23-13-11-12-14-24(23)27-18-21(31(5,6)7)19-28(25)33(27,9)32(22,26)8/h11-19H,10H2,1-9H3/t32-,33+/m1/s1