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

Systemtic Name: 3-[[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid Openeye Name: 3-[[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl]oxymethyl]benzoic acid CAS Name: 3-[[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxymethyl]benzoic acid Traditional Name: 3-[[4-keto-2-(4-methoxyphenyl)-6,7-dimethyl-chromen-3-yl]oxymethyl]benzoic acid Formula: C26H22O6 MolecularWeight: 430.44928

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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)OCC4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H22O6/c1-15-11-21-22(12-16(15)2)32-24(18-7-9-20(30-3)10-8-18)25(23(21)27)31-14-17-5-4-6-19(13-17)26(28)29/h4-13H,14H2,1-3H3,(H,28,29)