disodium 8-[(2-oxidanidylphenyl)carbonylamino]octanoate

Systemtic Name: disodium 8-[(2-oxidanidylphenyl)carbonylamino]octanoate Openeye Name: disodium 8-[(2-oxidobenzoyl)amino]octanoate CAS Name: disodium 8-[[(2-oxidophenyl)-oxomethyl]amino]octanoate IUPAC Name: disodium 8-[(2-oxidobenzoyl)amino]octanoate Traditional Name: disodium 8-[(2-oxidobenzoyl)amino]caprylate Formula: C15H19NNa2O4 MolecularWeight: 323.2952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4.2Na/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19;;/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19);;/q;2*+1/p-2