sodium 3-chloranyl-2,5,6-trimethyl-benzoic acid

Systemtic Name: sodium 3-chloranyl-2,5,6-trimethyl-benzoic acid Openeye Name: sodium 3-chloro-2,5,6-trimethyl-benzoic acid CAS Name: sodium 3-chloro-2,5,6-trimethylbenzoic acid IUPAC Name: sodium 3-chloro-2,5,6-trimethylbenzoic acid Traditional Name: sodium 3-chloro-2,5,6-trimethyl-benzoic acid Formula: C10H11ClNaO2+ MolecularWeight: 221.63591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(=O)O)C)Cl.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1C)C(=O)O)C)Cl.[Na+]

InChI

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