diethyl (10S,11R)-9,10,11,12-tetrahydrobenzo[e]pyrene-10,11-dicarboxylate

Systemtic Name: diethyl (10S,11R)-9,10,11,12-tetrahydrobenzo[e]pyrene-10,11-dicarboxylate Openeye Name: diethyl (10S,11R)-9,10,11,12-tetrahydrobenzo[e]pyrene-10,11-dicarboxylate CAS Name: (10S,11R)-9,10,11,12-tetrahydrobenzo[e]pyrene-10,11-dicarboxylic acid diethyl ester IUPAC Name: diethyl (10S,11R)-9,10,11,12-tetrahydrobenzo[e]pyrene-10,11-dicarboxylate Traditional Name: (10S,11R)-9,10,11,12-tetrahydrobenzo[e]pyrene-10,11-dicarboxylic acid diethyl ester Formula: C26H24O4 MolecularWeight: 400.46636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(CC1C(=O)OCC)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4

Isomeric SMILES

CCOC(=O)[C@@H]1CC2=C(C[C@@H]1C(=O)OCC)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4

InChI

InChI=1S/C26H24O4/c1-3-29-25(27)21-13-19-17-9-5-7-15-11-12-16-8-6-10-18(24(16)23(15)17)20(19)14-22(21)26(28)30-4-2/h5-12,21-22H,3-4,13-14H2,1-2H3/t21-,22+