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

Systemtic Name: sodium 8-[(5-methoxy-2-oxidanyl-phenyl)carbonylamino]octanoate Openeye Name: sodium 8-[(2-hydroxy-5-methoxy-benzoyl)amino]octanoate CAS Name: sodium 8-[[(2-hydroxy-5-methoxyphenyl)-oxomethyl]amino]octanoate IUPAC Name: sodium 8-[(2-hydroxy-5-methoxybenzoyl)amino]octanoate Traditional Name: sodium 8-[(2-hydroxy-5-methoxy-benzoyl)amino]caprylate Formula: C16H22NNaO5 MolecularWeight: 331.33935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5.Na/c1-22-12-8-9-14(18)13(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;+1/p-1