3-chloranyl-2,5,6-trimethyl-benzoate

Systemtic Name: 3-chloranyl-2,5,6-trimethyl-benzoate Openeye Name: 3-chloro-2,5,6-trimethyl-benzoate CAS Name: 3-chloro-2,5,6-trimethylbenzoate IUPAC Name: 3-chloro-2,5,6-trimethylbenzoate Traditional Name: 3-chloro-2,5,6-trimethyl-benzoate Formula: C10H10ClO2- MolecularWeight: 197.6382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(=O)[O-])C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1C)C(=O)[O-])C)Cl

InChI

InChI=1S/C10H11ClO2/c1-5-4-8(11)7(3)9(6(5)2)10(12)13/h4H,1-3H3,(H,12,13)/p-1