methyl 4-[[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-chromen-6-yl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-chromen-6-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-chromen-6-yl]oxymethyl]benzoate CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1-benzopyran-6-yl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxochromen-6-yl]oxymethyl]benzoate Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-2-keto-4-methyl-chromen-6-yl]oxymethyl]benzoic acid methyl ester Formula: C26H20O7 MolecularWeight: 444.4328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H20O7/c1-15-20-12-19(30-13-16-3-5-17(6-4-16)25(27)29-2)8-10-21(20)33-26(28)24(15)18-7-9-22-23(11-18)32-14-31-22/h3-12H,13-14H2,1-2H3