4-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid Openeye Name: 4-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl]oxymethyl]benzoic acid CAS Name: 4-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxymethyl]benzoic acid Traditional Name: 4-[[2-(3,4-dimethoxyphenyl)-4-keto-6,7-dimethyl-chromen-3-yl]oxymethyl]benzoic acid Formula: C27H24O7 MolecularWeight: 460.47526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OCC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OCC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C27H24O7/c1-15-11-20-22(12-16(15)2)34-25(19-9-10-21(31-3)23(13-19)32-4)26(24(20)28)33-14-17-5-7-18(8-6-17)27(29)30/h5-13H,14H2,1-4H3,(H,29,30)