dimethyl (4aE,6E)-3-phenyl-8,9,10,11-tetrahydrocyclonona[c]pyran-5,6-dicarboxylate

Systemtic Name: dimethyl (4aE,6E)-3-phenyl-8,9,10,11-tetrahydrocyclonona[c]pyran-5,6-dicarboxylate Openeye Name: dimethyl (4aE,6E)-3-phenyl-8,9,10,11-tetrahydrocyclonona[c]pyran-5,6-dicarboxylate CAS Name: (4aE,6E)-3-phenyl-8,9,10,11-tetrahydrocyclonona[c]pyran-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4aE,6E)-3-phenyl-8,9,10,11-tetrahydrocyclonona[c]pyran-5,6-dicarboxylate Traditional Name: (4aE,6E)-3-phenyl-8,9,10,11-tetrahydrocyclonona[c]pyran-5,6-dicarboxylic acid dimethyl ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCCCCC2=COC(=CC2=C1C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC(=O)/C/1=C/CCCCC/2=COC(=C\C2=C1/C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H22O5/c1-25-21(23)17-12-8-4-7-11-16-14-27-19(15-9-5-3-6-10-15)13-18(16)20(17)22(24)26-2/h3,5-6,9-10,12-14H,4,7-8,11H2,1-2H3/b17-12+,20-18+