sodium 2-[carboxymethyl-(4-octylphenyl)amino]ethanoate

Systemtic Name: sodium 2-[carboxymethyl-(4-octylphenyl)amino]ethanoate Openeye Name: sodium 2-[N-(carboxymethyl)-4-octyl-anilino]acetate CAS Name: sodium 2-[N-(carboxymethyl)-4-octylanilino]acetate IUPAC Name: sodium 2-[N-(carboxymethyl)-4-octylanilino]acetate Traditional Name: sodium 2-[N-(carboxymethyl)-4-octyl-anilino]acetate Formula: C18H26NNaO4 MolecularWeight: 343.39311

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N(CC(=O)O)CC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N(CC(=O)O)CC(=O)[O-].[Na+]

InChI

InChI=1S/C18H27NO4.Na/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19(13-17(20)21)14-18(22)23;/h9-12H,2-8,13-14H2,1H3,(H,20,21)(H,22,23);/q;+1/p-1