chloranylethane; [1,4-dimethoxy-1,4-bis(oxidanylidene)-2-phosphono-butan-2-yl]phosphonic acid

Systemtic Name: chloranylethane; [1,4-dimethoxy-1,4-bis(oxidanylidene)-2-phosphono-butan-2-yl]phosphonic acid Openeye Name: chloroethane; (3-methoxy-1-methoxycarbonyl-3-oxo-1-phosphono-propyl)phosphonic acid CAS Name: chloroethane; (1,4-dimethoxy-1,4-dioxo-2-phosphonobutan-2-yl)phosphonic acid IUPAC Name: chloroethane; (1,4-dimethoxy-1,4-dioxo-2-phosphonobutan-2-yl)phosphonic acid Traditional Name: (1-carbomethoxy-3-keto-3-methoxy-1-phosphono-propyl)phosphonic acid; chloroethane Formula: C8H17ClO10P2 MolecularWeight: 370.615102

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Descriptors Computed from Structure

Canonical SMILES:

CCCl.COC(=O)CC(C(=O)OC)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCl.COC(=O)CC(C(=O)OC)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H12O10P2.C2H5Cl/c1-15-4(7)3-6(5(8)16-2,17(9,10)11)18(12,13)14;1-2-3/h3H2,1-2H3,(H2,9,10,11)(H2,12,13,14);2H2,1H3