sodium 8-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]octanoate

Systemtic Name: sodium 8-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]octanoate Openeye Name: sodium 8-[(5-chloro-2-hydroxy-benzoyl)amino]octanoate CAS Name: sodium 8-[[(5-chloro-2-hydroxyphenyl)-oxomethyl]amino]octanoate IUPAC Name: sodium 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoate Traditional Name: sodium 8-[(5-chloro-2-hydroxy-benzoyl)amino]caprylate Formula: C15H19ClNNaO4 MolecularWeight: 335.75843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)NCCCCCCCC(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)NCCCCCCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C15H20ClNO4.Na/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20;/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20);/q;+1/p-1