2,4,6-trimethylbenzoate; 2,4,6-trimethylbenzoic acid

Systemtic Name: 2,4,6-trimethylbenzoate; 2,4,6-trimethylbenzoic acid Openeye Name: 2,4,6-trimethylbenzoate; 2,4,6-trimethylbenzoic acid CAS Name: 2,4,6-trimethylbenzoate; 2,4,6-trimethylbenzoic acid IUPAC Name: 2,4,6-trimethylbenzoate; 2,4,6-trimethylbenzoic acid Traditional Name: mesitoic acid; 2,4,6-trimethylbenzoate Formula: C20H23O4- MolecularWeight: 327.39422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)O)C.CC1=CC(=C(C(=C1)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)O)C.CC1=CC(=C(C(=C1)C)C(=O)[O-])C

InChI

InChI=1S/2C10H12O2/c2*1-6-4-7(2)9(10(11)12)8(3)5-6/h2*4-5H,1-3H3,(H,11,12)/p-1