[(5E)-4-oxidanyl-5-(phenylmethylidene)cyclodeca-2,6-diyn-1-yl] 9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [(5E)-4-oxidanyl-5-(phenylmethylidene)cyclodeca-2,6-diyn-1-yl] 9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [(5E)-5-benzylidene-4-hydroxy-cyclodeca-2,6-diyn-1-yl] 9,10-dioxoanthracene-2-carboxylate CAS Name: 9,10-dioxo-2-anthracenecarboxylic acid [(5E)-4-hydroxy-5-(phenylmethylene)-1-cyclodeca-2,6-diynyl] ester IUPAC Name: [(5E)-5-benzylidene-4-hydroxycyclodeca-2,6-diyn-1-yl] 9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketoanthracene-2-carboxylic acid [(5E)-5-benzal-4-hydroxy-cyclodeca-2,6-diyn-1-yl] ester Formula: C32H22O5 MolecularWeight: 486.51408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC#CC(=CC2=CC=CC=C2)C(C#CC(C1)OC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

C1CC#C/C(=C\C2=CC=CC=C2)/C(C#CC(C1)OC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C32H22O5/c33-29-18-16-24(12-6-2-5-11-22(29)19-21-9-3-1-4-10-21)37-32(36)23-15-17-27-28(20-23)31(35)26-14-8-7-13-25(26)30(27)34/h1,3-4,7-10,13-15,17,19-20,24,29,33H,2,6,12H2/b22-19+