8-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl]oxymethyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[[2-(3,4-dimethoxyphenyl)-4-keto-6,7-dimethyl-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C29H26O9 MolecularWeight: 518.51134

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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(=CC5=C4OCOC5)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(=CC5=C4OCOC5)C(=O)O)C

InChI

InChI=1S/C29H26O9/c1-15-7-21-23(8-16(15)2)38-27(17-5-6-22(33-3)24(11-17)34-4)28(25(21)30)36-13-20-10-18(29(31)32)9-19-12-35-14-37-26(19)20/h5-11H,12-14H2,1-4H3,(H,31,32)