disodium 8-[(5-chloranyl-2-oxidanidyl-phenyl)carbonylamino]octanoate

Systemtic Name: disodium 8-[(5-chloranyl-2-oxidanidyl-phenyl)carbonylamino]octanoate Openeye Name: disodium 8-[(5-chloro-2-oxido-benzoyl)amino]octanoate CAS Name: disodium 8-[[(5-chloro-2-oxidophenyl)-oxomethyl]amino]octanoate IUPAC Name: disodium 8-[(5-chloro-2-oxidobenzoyl)amino]octanoate Traditional Name: disodium 8-[(5-chloro-2-oxido-benzoyl)amino]caprylate Formula: C15H18ClNNa2O4 MolecularWeight: 357.74026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO4.2Na/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;2*+1/p-2