3-[2-[(6-chloranyl-5-methyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl]propanoic acid

Systemtic Name: 3-[2-[(6-chloranyl-5-methyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl]propanoic acid Openeye Name: 3-[2-[(6-chloro-5-methyl-4-oxo-chromen-3-yl)methyl]phenyl]propanoic acid CAS Name: 3-[2-[(6-chloro-5-methyl-4-oxo-1-benzopyran-3-yl)methyl]phenyl]propanoic acid IUPAC Name: 3-[2-[(6-chloro-5-methyl-4-oxochromen-3-yl)methyl]phenyl]propanoic acid Traditional Name: 3-[2-[(6-chloro-4-keto-5-methyl-chromen-3-yl)methyl]phenyl]propionic acid Formula: C20H17ClO4 MolecularWeight: 356.79958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)C(=CO2)CC3=CC=CC=C3CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)C(=CO2)CC3=CC=CC=C3CCC(=O)O)Cl

InChI

InChI=1S/C20H17ClO4/c1-12-16(21)7-8-17-19(12)20(24)15(11-25-17)10-14-5-3-2-4-13(14)6-9-18(22)23/h2-5,7-8,11H,6,9-10H2,1H3,(H,22,23)