2-pentyl-3-phosphono-butanedioic acid; prop-2-yn-1-amine

Systemtic Name: 2-pentyl-3-phosphono-butanedioic acid; prop-2-yn-1-amine Openeye Name: 2-pentyl-3-phosphono-butanedioic acid; prop-2-yn-1-amine CAS Name: 2-pentyl-3-phosphonobutanedioic acid; 2-propyn-1-amine IUPAC Name: 2-pentyl-3-phosphonobutanedioic acid; prop-2-yn-1-amine Traditional Name: 2-amyl-3-phosphono-succinic acid; propargylamine Formula: C12H22NO7P MolecularWeight: 323.279341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O.C#CCN

Isomeric SMILES

CCCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O.C#CCN

InChI

InChI=1S/C9H17O7P.C3H5N/c1-2-3-4-5-6(8(10)11)7(9(12)13)17(14,15)16;1-2-3-4/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)(H2,14,15,16);1H,3-4H2