2-methyl-2-[(2-methyl-1-oxidanyl-1-oxidanylidene-nonan-2-yl)-oxidanyl-phosphoryl]nonanoic acid

Systemtic Name: 2-methyl-2-[(2-methyl-1-oxidanyl-1-oxidanylidene-nonan-2-yl)-oxidanyl-phosphoryl]nonanoic acid Openeye Name: 2-[(1-carboxy-1-methyl-octyl)-hydroxy-phosphoryl]-2-methyl-nonanoic acid CAS Name: 2-[hydroxy-(1-hydroxy-2-methyl-1-oxononan-2-yl)phosphoryl]-2-methylnonanoic acid IUPAC Name: 2-[hydroxy-(1-hydroxy-2-methyl-1-oxononan-2-yl)phosphoryl]-2-methylnonanoic acid Traditional Name: 2-[(1-carboxy-1-methyl-octyl)-hydroxy-phosphoryl]-2-methyl-pelargonic acid Formula: C20H39O6P MolecularWeight: 406.493821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)(C(=O)O)P(=O)(C(C)(CCCCCCC)C(=O)O)O

Isomeric SMILES

CCCCCCCC(C)(C(=O)O)P(=O)(C(C)(CCCCCCC)C(=O)O)O

InChI

InChI=1S/C20H39O6P/c1-5-7-9-11-13-15-19(3,17(21)22)27(25,26)20(4,18(23)24)16-14-12-10-8-6-2/h5-16H2,1-4H3,(H,21,22)(H,23,24)(H,25,26)