Molecule ID: 6611528

IUPAC Name: (4-methyl-2-oxochromen-7-yl) 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxochromen-7-yl]oxyacetate

Description: The molecule is a carboxylic ester obtained by formal condensation of that carboxy group of {[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxochromen-7-yl]oxy}acetic acid with the hydroxy group of 7-hydroxy-4-methylchromen-2-one. It is a benzodioxine, a member of chromones, a member of coumarins and a carboxylic ester.

SMILES: Cc1oc2cc(OCC(=O)Oc3ccc4c(C)cc(=O)oc4c3)ccc2c(=O)c1-c1ccc2c(c1)OCCO2

SELFIES: [C][C][O][C][=C][C][Branch2][Ring1][N][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][=C][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1]

InChI: InChI=1S/C30H22O9/c1-16-11-27(31)39-24-14-20(5-6-21(16)24)38-28(32)15-36-19-4-7-22-25(13-19)37-17(2)29(30(22)33)18-3-8-23-26(12-18)35-10-9-34-23/h3-8,11-14H,9-10,15H2,1-2H3

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 4.6