sodium [2-methyl-1,3-bis(oxidanyl)propan-2-yl] benzoate

Systemtic Name: sodium [2-methyl-1,3-bis(oxidanyl)propan-2-yl] benzoate Openeye Name: sodium [2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl] benzoate CAS Name: sodium benzoic acid (1,3-dihydroxy-2-methylpropan-2-yl) ester IUPAC Name: sodium (1,3-dihydroxy-2-methylpropan-2-yl) benzoate Traditional Name: sodium benzoic acid (2-hydroxy-1-methyl-1-methylol-ethyl) ester Formula: C11H14NaO4+ MolecularWeight: 233.21623

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)OC(=O)C1=CC=CC=C1.[Na+]

Isomeric SMILES

CC(CO)(CO)OC(=O)C1=CC=CC=C1.[Na+]

InChI

InChI=1S/C11H14O4.Na/c1-11(7-12,8-13)15-10(14)9-5-3-2-4-6-9;/h2-6,12-13H,7-8H2,1H3;/q;+1