disodium; 8-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]octanoate; ethanol

Systemtic Name: disodium; 8-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]octanoate; ethanol Openeye Name: disodium; 8-[(5-chloro-2-hydroxy-benzoyl)amino]octanoate; ethanol CAS Name: disodium; 8-[[(5-chloro-2-hydroxyphenyl)-oxomethyl]amino]octanoate; ethanol IUPAC Name: disodium; 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoate; ethanol Traditional Name: disodium; 8-[(5-chloro-2-hydroxy-benzoyl)amino]caprylate; ethanol Formula: C17H25ClNNa2O5+ MolecularWeight: 404.81664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO4.C2H6O.2Na/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20;1-2-3;;/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20);3H,2H2,1H3;;/q;;2*+1/p-1