3-[[6,7-dimethyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoate

Systemtic Name: 3-[[6,7-dimethyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoate Openeye Name: 3-[[6,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxymethyl]benzoate CAS Name: 3-[[6,7-dimethyl-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoate IUPAC Name: 3-[[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxymethyl]benzoate Traditional Name: 3-[[4-keto-6,7-dimethyl-2-(p-tolyl)chromen-3-yl]oxymethyl]benzoate Formula: C26H21O5- MolecularWeight: 413.44194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)C)OCC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)C)OCC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C26H22O5/c1-15-7-9-19(10-8-15)24-25(30-14-18-5-4-6-20(13-18)26(28)29)23(27)21-11-16(2)17(3)12-22(21)31-24/h4-13H,14H2,1-3H3,(H,28,29)/p-1