butane; 2-(3,4-dimethoxyphenyl)-1-phosphonato-ethanamine; ethanedioate

Systemtic Name: butane; 2-(3,4-dimethoxyphenyl)-1-phosphonato-ethanamine; ethanedioate Openeye Name: butane; 2-(3,4-dimethoxyphenyl)-1-phosphonato-ethanamine; oxalate CAS Name: butane; 2-(3,4-dimethoxyphenyl)-1-phosphonatoethanamine; oxalate IUPAC Name: butane; 2-(3,4-dimethoxyphenyl)-1-phosphonatoethanamine; oxalate Traditional Name: [2-(3,4-dimethoxyphenyl)-1-phosphonato-ethyl]amine; n-butane; oxalate Formula: C16H24NO9P-4 MolecularWeight: 405.336821

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.COC1=C(C=C(C=C1)CC(N)P(=O)([O-])[O-])OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCC.COC1=C(C=C(C=C1)CC(N)P(=O)([O-])[O-])OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C10H16NO5P.C4H10.C2H2O4/c1-15-8-4-3-7(5-9(8)16-2)6-10(11)17(12,13)14;1-3-4-2;3-1(4)2(5)6/h3-5,10H,6,11H2,1-2H3,(H2,12,13,14);3-4H2,1-2H3;(H,3,4)(H,5,6)/p-4