trimethyl (6E)-6-(phenylmethylidene)cycloheptane-1,1,4-tricarboxylate

Systemtic Name: trimethyl (6E)-6-(phenylmethylidene)cycloheptane-1,1,4-tricarboxylate Openeye Name: trimethyl (6E)-6-benzylidenecycloheptane-1,1,4-tricarboxylate CAS Name: (6E)-6-(phenylmethylene)cycloheptane-1,1,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (6E)-6-benzylidenecycloheptane-1,1,4-tricarboxylate Traditional Name: (6E)-6-benzalcycloheptane-1,1,4-tricarboxylic acid trimethyl ester Formula: C20H24O6 MolecularWeight: 360.40096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC(=CC2=CC=CC=C2)C1)(C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1CCC(C/C(=C/C2=CC=CC=C2)/C1)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H24O6/c1-24-17(21)16-9-10-20(18(22)25-2,19(23)26-3)13-15(12-16)11-14-7-5-4-6-8-14/h4-8,11,16H,9-10,12-13H2,1-3H3/b15-11+