2,6-dimethyl-6-oxidanyl-4-phosphono-2-(2-phosphonobutyl)octanoic acid

Systemtic Name: 2,6-dimethyl-6-oxidanyl-4-phosphono-2-(2-phosphonobutyl)octanoic acid Openeye Name: 6-hydroxy-2,6-dimethyl-4-phosphono-2-(2-phosphonobutyl)octanoic acid CAS Name: 6-hydroxy-2,6-dimethyl-4-phosphono-2-(2-phosphonobutyl)octanoic acid IUPAC Name: 6-hydroxy-2,6-dimethyl-4-phosphono-2-(2-phosphonobutyl)octanoic acid Traditional Name: 6-hydroxy-2,6-dimethyl-4-phosphono-2-(2-phosphonobutyl)caprylic acid Formula: C14H30O9P2 MolecularWeight: 404.330122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H30O9P2/c1-5-10(24(18,19)20)7-13(3,12(15)16)8-11(25(21,22)23)9-14(4,17)6-2/h10-11,17H,5-9H2,1-4H3,(H,15,16)(H2,18,19,20)(H2,21,22,23)