3-methyl-3,5-bis(oxidanyl)-8-[oxidanyl(phosphonooxy)phosphoryl]oxy-octanoic acid

Systemtic Name: 3-methyl-3,5-bis(oxidanyl)-8-[oxidanyl(phosphonooxy)phosphoryl]oxy-octanoic acid Openeye Name: 3,5-dihydroxy-8-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methyl-octanoic acid CAS Name: 3,5-dihydroxy-8-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methyloctanoic acid IUPAC Name: 3,5-dihydroxy-8-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methyloctanoic acid Traditional Name: 3,5-dihydroxy-8-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methyl-caprylic acid Formula: C9H20O11P2 MolecularWeight: 366.196022

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCCOP(=O)(O)OP(=O)(O)O)O)(CC(=O)O)O

Isomeric SMILES

CC(CC(CCCOP(=O)(O)OP(=O)(O)O)O)(CC(=O)O)O

InChI

InChI=1S/C9H20O11P2/c1-9(13,6-8(11)12)5-7(10)3-2-4-19-22(17,18)20-21(14,15)16/h7,10,13H,2-6H2,1H3,(H,11,12)(H,17,18)(H2,14,15,16)