trimethyl (1S,4aS)-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6,7-tricarboxylate

Systemtic Name: trimethyl (1S,4aS)-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6,7-tricarboxylate Openeye Name: trimethyl (1S,4aS)-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6,7-tricarboxylate CAS Name: (1S,4aS)-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6,7-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1S,4aS)-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6,7-tricarboxylate Traditional Name: (1S,4aS)-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6,7-tricarboxylic acid trimethyl ester Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1C=CC3=CC(=C(C=C23)C(=O)OC)C(=O)OC)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@](C1C=CC3=CC(=C(C=C23)C(=O)OC)C(=O)OC)(C)C(=O)OC

InChI

InChI=1S/C22H26O6/c1-21-9-6-10-22(2,20(25)28-5)17(21)8-7-13-11-14(18(23)26-3)15(12-16(13)21)19(24)27-4/h7-8,11-12,17H,6,9-10H2,1-5H3/t17?,21-,22+/m1/s1