3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxidanylidene-chromen-3-yl]propanoic acid

Systemtic Name: 3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxidanylidene-chromen-3-yl]propanoic acid Openeye Name: 3-[7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-chromen-3-yl]propanoic acid CAS Name: 3-[7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid Traditional Name: 3-[7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-2-keto-4-methyl-chromen-3-yl]propionic acid Formula: C21H17ClO7 MolecularWeight: 416.80848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC4=C(C=C3Cl)OCO4)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC4=C(C=C3Cl)OCO4)CCC(=O)O

InChI

InChI=1S/C21H17ClO7/c1-11-14-3-2-13(7-17(14)29-21(25)15(11)4-5-20(23)24)26-9-12-6-18-19(8-16(12)22)28-10-27-18/h2-3,6-8H,4-5,9-10H2,1H3,(H,23,24)