2,3-dimethylbenzoic acid; 2,4-dimethylbenzoic acid; 3,5-dimethylbenzoic acid

Systemtic Name: 2,3-dimethylbenzoic acid; 2,4-dimethylbenzoic acid; 3,5-dimethylbenzoic acid Openeye Name: 2,3-dimethylbenzoic acid; 2,4-dimethylbenzoic acid; 3,5-dimethylbenzoic acid CAS Name: 2,3-dimethylbenzoic acid; 2,4-dimethylbenzoic acid; 3,5-dimethylbenzoic acid IUPAC Name: 2,3-dimethylbenzoic acid; 2,4-dimethylbenzoic acid; 3,5-dimethylbenzoic acid Traditional Name: hemellitic acid; mesitylenic acid; 2,4-xylic acid Formula: C27H30O6 MolecularWeight: 450.5235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C.CC1=CC=CC(=C1C)C(=O)O.CC1=CC(=CC(=C1)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C.CC1=CC=CC(=C1C)C(=O)O.CC1=CC(=CC(=C1)C(=O)O)C

InChI

InChI=1S/3C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11;1-6-3-4-8(9(10)11)7(2)5-6;1-6-4-3-5-8(7(6)2)9(10)11/h3*3-5H,1-2H3,(H,10,11)