dimethyl (8aS,12aS)-7,8,9,12-tetrahydrobenzo[c]phenanthrene-8a,12a-dicarboxylate

Systemtic Name: dimethyl (8aS,12aS)-7,8,9,12-tetrahydrobenzo[c]phenanthrene-8a,12a-dicarboxylate Openeye Name: dimethyl (8aS,12aS)-7,8,9,12-tetrahydrobenzo[c]phenanthrene-8a,12a-dicarboxylate CAS Name: (8aS,12aS)-7,8,9,12-tetrahydrobenzo[c]phenanthrene-8a,12a-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (8aS,12aS)-7,8,9,12-tetrahydrobenzo[c]phenanthrene-8a,12a-dicarboxylate Traditional Name: (8aS,12aS)-7,8,9,12-tetrahydrobenzo[c]phenanthrene-8a,12a-dicarboxylic acid dimethyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC3=C(C1(CC=CC2)C(=O)OC)C4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)[C@]12CCC3=C([C@]1(CC=CC2)C(=O)OC)C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22O4/c1-25-19(23)21-12-5-6-13-22(21,20(24)26-2)18-16(11-14-21)10-9-15-7-3-4-8-17(15)18/h3-10H,11-14H2,1-2H3/t21-,22+/m0/s1