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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)O)C)C(=C1)OCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)O)C)C(=C1)OCC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C21H17ClO7/c1-10-3-17(26-8-12-5-15-16(7-14(12)22)28-9-27-15)20-11(2)13(6-19(23)24)21(25)29-18(20)4-10/h3-5,7H,6,8-9H2,1-2H3,(H,23,24)