sodium 8-oxidanyl-8-(2-pentoxyphenyl)octanoate

Systemtic Name: sodium 8-oxidanyl-8-(2-pentoxyphenyl)octanoate Openeye Name: sodium 8-hydroxy-8-(2-pentoxyphenyl)octanoate CAS Name: sodium 8-hydroxy-8-(2-pentoxyphenyl)octanoate IUPAC Name: sodium 8-hydroxy-8-(2-pentoxyphenyl)octanoate Traditional Name: sodium 8-(2-amoxyphenyl)-8-hydroxy-caprylate Formula: C19H29NaO4 MolecularWeight: 344.42093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(CCCCCCC(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(CCCCCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C19H30O4.Na/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22;/h8-9,11,13,17,20H,2-7,10,12,14-15H2,1H3,(H,21,22);/q;+1/p-1