2-methyl-3-[(4-octadecylphenyl)-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 2-methyl-3-[(4-octadecylphenyl)-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[hydroxy-(4-octadecylphenyl)phosphoryl]-2-methyl-propanoic acid CAS Name: 3-[hydroxy-(4-octadecylphenyl)phosphoryl]-2-methylpropanoic acid IUPAC Name: 3-[hydroxy-(4-octadecylphenyl)phosphoryl]-2-methylpropanoic acid Traditional Name: 3-[hydroxy-(4-stearylphenyl)phosphoryl]-2-methyl-propionic acid Formula: C28H49O4P MolecularWeight: 480.660021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)P(=O)(CC(C)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)P(=O)(CC(C)C(=O)O)O

InChI

InChI=1S/C28H49O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22-27(23-21-26)33(31,32)24-25(2)28(29)30/h20-23,25H,3-19,24H2,1-2H3,(H,29,30)(H,31,32)