2-(carboxymethylamino)ethanoic acid; 5-isothiocyanato-2,9-dimethyl-1,10-phenanthroline

Systemtic Name: 2-(carboxymethylamino)ethanoic acid; 5-isothiocyanato-2,9-dimethyl-1,10-phenanthroline Openeye Name: 2-(carboxymethylamino)acetic acid; 5-isothiocyanato-2,9-dimethyl-1,10-phenanthroline CAS Name: 2-(carboxymethylamino)acetic acid; 5-isothiocyanato-2,9-dimethyl-1,10-phenanthroline IUPAC Name: 2-(carboxymethylamino)acetic acid; 5-isothiocyanato-2,9-dimethyl-1,10-phenanthroline Traditional Name: 2-(carboxymethylamino)acetic acid; 5-isothiocyanato-2,9-dimethyl-1,10-phenanthroline Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C3C(=C(C=C2C=C1)N=C=S)C=CC(=N3)C.C(C(=O)O)NCC(=O)O

Isomeric SMILES

CC1=NC2=C3C(=C(C=C2C=C1)N=C=S)C=CC(=N3)C.C(C(=O)O)NCC(=O)O

InChI

InChI=1S/C15H11N3S.C4H7NO4/c1-9-3-5-11-7-13(16-8-19)12-6-4-10(2)18-15(12)14(11)17-9;6-3(7)1-5-2-4(8)9/h3-7H,1-2H3;5H,1-2H2,(H,6,7)(H,8,9)