5-(3,4-dimethylphenyl)carbonyl-2,3-bis(methoxycarbonyl)terephthalic acid

Systemtic Name: 5-(3,4-dimethylphenyl)carbonyl-2,3-bis(methoxycarbonyl)terephthalic acid Openeye Name: 5-(3,4-dimethylbenzoyl)-2,3-bis(methoxycarbonyl)terephthalic acid CAS Name: 5-[(3,4-dimethylphenyl)-oxomethyl]-2,3-bis(methoxycarbonyl)terephthalic acid IUPAC Name: 5-(3,4-dimethylbenzoyl)-2,3-bis(methoxycarbonyl)terephthalic acid Traditional Name: 2,3-dicarbomethoxy-5-(3,4-dimethylbenzoyl)terephthalic acid Formula: C21H18O9 MolecularWeight: 414.36222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2C(=O)O)C(=O)OC)C(=O)OC)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2C(=O)O)C(=O)OC)C(=O)OC)C(=O)O)C

InChI

InChI=1S/C21H18O9/c1-9-5-6-11(7-10(9)2)17(22)12-8-13(18(23)24)15(20(27)29-3)16(21(28)30-4)14(12)19(25)26/h5-8H,1-4H3,(H,23,24)(H,25,26)