2-(4-methylsulfonyloxybutyl)-3-phosphono-butanedioic acid

Systemtic Name: 2-(4-methylsulfonyloxybutyl)-3-phosphono-butanedioic acid Openeye Name: 2-(4-methylsulfonyloxybutyl)-3-phosphono-butanedioic acid CAS Name: 2-(4-methylsulfonyloxybutyl)-3-phosphonobutanedioic acid IUPAC Name: 2-(4-methylsulfonyloxybutyl)-3-phosphonobutanedioic acid Traditional Name: 2-(4-methylsulfonyloxybutyl)-3-phosphono-succinic acid Formula: C9H17O10PS MolecularWeight: 348.264041

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C9H17O10PS/c1-21(17,18)19-5-3-2-4-6(8(10)11)7(9(12)13)20(14,15)16/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)(H2,14,15,16)