3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methoxy-4-oxidanylidene-6-propyl-chromene-2-carboxylic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methoxy-4-oxidanylidene-6-propyl-chromene-2-carboxylic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methoxy-4-oxo-6-propyl-chromene-2-carboxylic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methoxy-4-oxo-6-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methoxy-4-oxo-6-propylchromene-2-carboxylic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-7-methoxy-6-propyl-chromene-2-carboxylic acid Formula: C22H20O7 MolecularWeight: 396.39

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)O)C3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)O)C3=CC4=C(C=C3)OCCO4)OC

InChI

InChI=1S/C22H20O7/c1-3-4-12-9-14-17(11-16(12)26-2)29-21(22(24)25)19(20(14)23)13-5-6-15-18(10-13)28-8-7-27-15/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,24,25)