sodium 2-[3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxybenzoate

Systemtic Name: sodium 2-[3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxybenzoate Openeye Name: sodium 2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybenzoate CAS Name: sodium 2-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzoate IUPAC Name: sodium 2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate Traditional Name: sodium 2-(3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl)oxybenzoate Formula: C15H18NNaO8 MolecularWeight: 363.29509

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2=CC=CC=C2C(=O)[O-])CO)O)O.[Na+]

Isomeric SMILES

CC(=O)NC1C(C(C(OC1OC2=CC=CC=C2C(=O)[O-])CO)O)O.[Na+]

InChI

InChI=1S/C15H19NO8.Na/c1-7(18)16-11-13(20)12(19)10(6-17)24-15(11)23-9-5-3-2-4-8(9)14(21)22;/h2-5,10-13,15,17,19-20H,6H2,1H3,(H,16,18)(H,21,22);/q;+1/p-1