sodium 3,4-dihydro-2H-chromene-2-carboxylate hydrate

Systemtic Name: sodium 3,4-dihydro-2H-chromene-2-carboxylate hydrate Openeye Name: sodium chromane-2-carboxylate hydrate CAS Name: sodium 3,4-dihydro-2H-1-benzopyran-2-carboxylate hydrate IUPAC Name: sodium 3,4-dihydro-2H-chromene-2-carboxylate hydrate Traditional Name: sodium chroman-2-carboxylate hydrate Formula: C10H11NaO4 MolecularWeight: 218.18171

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2OC1C(=O)[O-].O.[Na+]

Isomeric SMILES

C1CC2=CC=CC=C2OC1C(=O)[O-].O.[Na+]

InChI

InChI=1S/C10H10O3.Na.H2O/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9;;/h1-4,9H,5-6H2,(H,11,12);;1H2/q;+1;/p-1