sodium 8-[(3-methyl-2-oxidanyl-phenyl)carbonylamino]octanoate

Systemtic Name: sodium 8-[(3-methyl-2-oxidanyl-phenyl)carbonylamino]octanoate Openeye Name: sodium 8-[(2-hydroxy-3-methyl-benzoyl)amino]octanoate CAS Name: sodium 8-[[(2-hydroxy-3-methylphenyl)-oxomethyl]amino]octanoate IUPAC Name: sodium 8-[(2-hydroxy-3-methylbenzoyl)amino]octanoate Traditional Name: sodium 8-[(2-hydroxy-3-methyl-benzoyl)amino]caprylate Formula: C16H22NNaO4 MolecularWeight: 315.33995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)NCCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)NCCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C16H23NO4.Na/c1-12-8-7-9-13(15(12)20)16(21)17-11-6-4-2-3-5-10-14(18)19;/h7-9,20H,2-6,10-11H2,1H3,(H,17,21)(H,18,19);/q;+1/p-1