8-[5,6-dimethoxy-4,7-bis(oxidanylidene)-2-phenyl-1,3-dihydroinden-2-yl]octanoic acid

Systemtic Name: 8-[5,6-dimethoxy-4,7-bis(oxidanylidene)-2-phenyl-1,3-dihydroinden-2-yl]octanoic acid Openeye Name: 8-(5,6-dimethoxy-4,7-dioxo-2-phenyl-1,3-dihydroinden-2-yl)octanoic acid CAS Name: 8-(5,6-dimethoxy-4,7-dioxo-2-phenyl-1,3-dihydroinden-2-yl)octanoic acid IUPAC Name: 8-(5,6-dimethoxy-4,7-dioxo-2-phenyl-1,3-dihydroinden-2-yl)octanoic acid Traditional Name: 8-(4,7-diketo-5,6-dimethoxy-2-phenyl-1,3-dihydroinden-2-yl)caprylic acid Formula: C25H30O6 MolecularWeight: 426.5021

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C1=O)CC(C2)(CCCCCCCC(=O)O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C(=O)C2=C(C1=O)CC(C2)(CCCCCCCC(=O)O)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H30O6/c1-30-23-21(28)18-15-25(17-11-7-6-8-12-17,16-19(18)22(29)24(23)31-2)14-10-5-3-4-9-13-20(26)27/h6-8,11-12H,3-5,9-10,13-16H2,1-2H3,(H,26,27)