2-(6-aminopurin-9-yl)ethoxymethyl-(prop-2-enoxycarbonyloxymethoxy)phosphinic acid; (E)-but-2-enedioic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(prop-2-enoxycarbonyloxymethoxy)phosphinic acid; (E)-but-2-enedioic acid Openeye Name: allyloxycarbonyloxymethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid; fumaric acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[[oxo(prop-2-enoxy)methoxy]methoxy]phosphinic acid; (E)-2-butenedioic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(prop-2-enoxycarbonyloxymethoxy)phosphinic acid; (E)-but-2-enedioic acid Traditional Name: 2-adenin-9-ylethoxymethyl(allyloxycarbonyloxymethoxy)phosphinic acid; fumaric acid Formula: C17H22N5O11P MolecularWeight: 503.357241

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CCOC(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H18N5O7P.C4H4O4/c1-2-4-23-13(19)24-8-25-26(20,21)9-22-5-3-18-7-17-10-11(14)15-6-16-12(10)18;5-3(6)1-2-4(7)8/h2,6-7H,1,3-5,8-9H2,(H,20,21)(H2,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+