7-(1,3-benzodioxol-5-ylmethoxy)-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid

Systemtic Name: 7-(1,3-benzodioxol-5-ylmethoxy)-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-(1,3-benzodioxol-5-ylmethoxy)-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-(1,3-benzodioxol-5-ylmethoxy)-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-(1,3-benzodioxol-5-ylmethoxy)-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 4-keto-7-piperonyloxy-8-propyl-chromene-2-carboxylic acid Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18O7/c1-2-3-14-16(25-10-12-4-6-17-18(8-12)27-11-26-17)7-5-13-15(22)9-19(21(23)24)28-20(13)14/h4-9H,2-3,10-11H2,1H3,(H,23,24)