sodium 2-acetyloxybenzoic acid dihydrate

Systemtic Name: sodium 2-acetyloxybenzoic acid dihydrate Openeye Name: sodium 2-acetoxybenzoic acid dihydrate CAS Name: sodium 2-acetyloxybenzoic acid dihydrate IUPAC Name: sodium 2-acetyloxybenzoic acid dihydrate Traditional Name: sodium 2-acetoxybenzoic acid dihydrate Formula: C9H12NaO6+ MolecularWeight: 239.17775

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.O.O.[Na+]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.O.O.[Na+]

InChI

InChI=1S/C9H8O4.Na.2H2O/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;;;/h2-5H,1H3,(H,11,12);;2*1H2/q;+1;;