3-butyl-2-methyl-2-phosphono-butanedioic acid

Systemtic Name: 3-butyl-2-methyl-2-phosphono-butanedioic acid Openeye Name: 3-butyl-2-methyl-2-phosphono-butanedioic acid CAS Name: 3-butyl-2-methyl-2-phosphonobutanedioic acid IUPAC Name: 3-butyl-2-methyl-2-phosphonobutanedioic acid Traditional Name: 3-butyl-2-methyl-2-phosphono-succinic acid Formula: C9H17O7P MolecularWeight: 268.200841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)C(C)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(C(=O)O)C(C)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C9H17O7P/c1-3-4-5-6(7(10)11)9(2,8(12)13)17(14,15)16/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)(H2,14,15,16)