disodium 8-[(4-methoxy-2-oxidanidyl-phenyl)carbonylamino]octanoate

Systemtic Name: disodium 8-[(4-methoxy-2-oxidanidyl-phenyl)carbonylamino]octanoate Openeye Name: disodium 8-[(4-methoxy-2-oxido-benzoyl)amino]octanoate CAS Name: disodium 8-[[(4-methoxy-2-oxidophenyl)-oxomethyl]amino]octanoate IUPAC Name: disodium 8-[(4-methoxy-2-oxidobenzoyl)amino]octanoate Traditional Name: disodium 8-[(4-methoxy-2-oxido-benzoyl)amino]caprylate Formula: C16H21NNa2O5 MolecularWeight: 353.32118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NCCCCCCCC(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NCCCCCCCC(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C16H23NO5.2Na/c1-22-12-8-9-13(14(18)11-12)16(21)17-10-6-4-2-3-5-7-15(19)20;;/h8-9,11,18H,2-7,10H2,1H3,(H,17,21)(H,19,20);;/q;2*+1/p-2