3-(3,4-dimethylphenyl)-2-oxidanylidene-propanoic acid; 3-(3-methoxyphenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(3,4-dimethylphenyl)-2-oxidanylidene-propanoic acid; 3-(3-methoxyphenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(3,4-dimethylphenyl)-2-oxo-propanoic acid; 3-(3-methoxyphenyl)-2-oxo-propanoic acid CAS Name: 3-(3,4-dimethylphenyl)-2-oxopropanoic acid; 3-(3-methoxyphenyl)-2-oxopropanoic acid IUPAC Name: 3-(3,4-dimethylphenyl)-2-oxopropanoic acid; 3-(3-methoxyphenyl)-2-oxopropanoic acid Traditional Name: 3-(3,4-dimethylphenyl)-2-keto-propionic acid; 2-keto-3-(3-methoxyphenyl)propionic acid Formula: C21H22O7 MolecularWeight: 386.39518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)C(=O)O)C.COC1=CC=CC(=C1)CC(=O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)C(=O)O)C.COC1=CC=CC(=C1)CC(=O)C(=O)O

InChI

InChI=1S/C11H12O3.C10H10O4/c1-7-3-4-9(5-8(7)2)6-10(12)11(13)14;1-14-8-4-2-3-7(5-8)6-9(11)10(12)13/h3-5H,6H2,1-2H3,(H,13,14);2-5H,6H2,1H3,(H,12,13)