sodium [(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] octanoate

Systemtic Name: sodium [(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] octanoate Openeye Name: sodium [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-3-furyl] octanoate CAS Name: sodium octanoic acid [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-3-furanyl] ester IUPAC Name: sodium [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-oxofuran-3-yl] octanoate Traditional Name: sodium caprylic acid [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-keto-3-furyl] ester Formula: C14H22NaO7+ MolecularWeight: 325.31005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(OC(C1=O)C(CO)O)O.[Na+]

Isomeric SMILES

CCCCCCCC(=O)OC1=C(O[C@@H](C1=O)[C@H](CO)O)O.[Na+]

InChI

InChI=1S/C14H22O7.Na/c1-2-3-4-5-6-7-10(17)20-13-11(18)12(9(16)8-15)21-14(13)19;/h9,12,15-16,19H,2-8H2,1H3;/q;+1/t9-,12+;/m0./s1