sodium 3-oxidanyl-2-oxidanylidene-3-[1,2,3,4-tetrakis(oxidanyl)butyl]pentadecanoate

Systemtic Name: sodium 3-oxidanyl-2-oxidanylidene-3-[1,2,3,4-tetrakis(oxidanyl)butyl]pentadecanoate Openeye Name: sodium 3-hydroxy-2-oxo-3-(1,2,3,4-tetrahydroxybutyl)pentadecanoate CAS Name: sodium 3-hydroxy-2-oxo-3-(1,2,3,4-tetrahydroxybutyl)pentadecanoate IUPAC Name: sodium 3-hydroxy-2-oxo-3-(1,2,3,4-tetrahydroxybutyl)pentadecanoate Traditional Name: sodium 3-hydroxy-2-keto-3-(1,2,3,4-tetrahydroxybutyl)pentadecanoate Formula: C19H35NaO8 MolecularWeight: 414.46617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C(C(CO)O)O)O)(C(=O)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC(C(C(C(CO)O)O)O)(C(=O)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C19H36O8.Na/c1-2-3-4-5-6-7-8-9-10-11-12-19(27,17(24)18(25)26)16(23)15(22)14(21)13-20;/h14-16,20-23,27H,2-13H2,1H3,(H,25,26);/q;+1/p-1