2-(3-methylbutyl)-3-phosphono-butanedioic acid

Systemtic Name: 2-(3-methylbutyl)-3-phosphono-butanedioic acid Openeye Name: 2-isopentyl-3-phosphono-butanedioic acid CAS Name: 2-(3-methylbutyl)-3-phosphonobutanedioic acid IUPAC Name: 2-(3-methylbutyl)-3-phosphonobutanedioic acid Traditional Name: 2-isoamyl-3-phosphono-succinic acid Formula: C9H17O7P MolecularWeight: 268.200841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CC(C)CCC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C9H17O7P/c1-5(2)3-4-6(8(10)11)7(9(12)13)17(14,15)16/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H2,14,15,16)