sodium (2R)-6-(3-oxidanylidene-1,4-benzoxazin-4-yl)hexan-2-olate

Systemtic Name: sodium (2R)-6-(3-oxidanylidene-1,4-benzoxazin-4-yl)hexan-2-olate Openeye Name: sodium (2R)-6-(3-oxo-1,4-benzoxazin-4-yl)hexan-2-olate CAS Name: sodium (2R)-6-(3-oxo-1,4-benzoxazin-4-yl)-2-hexanolate IUPAC Name: sodium (2R)-6-(3-oxo-1,4-benzoxazin-4-yl)hexan-2-olate Traditional Name: sodium (2R)-6-(3-keto-1,4-benzoxazin-4-yl)hexan-2-olate Formula: C14H18NNaO3 MolecularWeight: 271.28739

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)COC2=CC=CC=C21)[O-].[Na+]

Isomeric SMILES

C[C@H](CCCCN1C(=O)COC2=CC=CC=C21)[O-].[Na+]

InChI

InChI=1S/C14H18NO3.Na/c1-11(16)6-4-5-9-15-12-7-2-3-8-13(12)18-10-14(15)17;/h2-3,7-8,11H,4-6,9-10H2,1H3;/q-1;+1/t11-;/m1./s1