disodium; 3-methyl-2-oxidanyl-benzoate; 2-oxidanylbenzoate

Systemtic Name: disodium; 3-methyl-2-oxidanyl-benzoate; 2-oxidanylbenzoate Openeye Name: disodium; 2-hydroxybenzoate; 2-hydroxy-3-methyl-benzoate CAS Name: disodium; 2-hydroxybenzoate; 2-hydroxy-3-methylbenzoate IUPAC Name: disodium; 2-hydroxybenzoate; 2-hydroxy-3-methylbenzoate Traditional Name: disodium; 2-hydroxy-3-methyl-benzoate; salicylate Formula: C15H12Na2O6 MolecularWeight: 334.23172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C8H8O3.C7H6O3.2Na/c1-5-3-2-4-6(7(5)9)8(10)11;8-6-4-2-1-3-5(6)7(9)10;;/h2-4,9H,1H3,(H,10,11);1-4,8H,(H,9,10);;/q;;2*+1/p-2