3-[(4-dodecylphenyl)-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 3-[(4-dodecylphenyl)-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[(4-dodecylphenyl)-hydroxy-phosphoryl]propanoic acid CAS Name: 3-[(4-dodecylphenyl)-hydroxyphosphoryl]propanoic acid IUPAC Name: 3-[(4-dodecylphenyl)-hydroxyphosphoryl]propanoic acid Traditional Name: 3-[hydroxy-(4-laurylphenyl)phosphoryl]propionic acid Formula: C21H35O4P MolecularWeight: 382.473961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)P(=O)(CCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)P(=O)(CCC(=O)O)O

InChI

InChI=1S/C21H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)26(24,25)18-17-21(22)23/h13-16H,2-12,17-18H2,1H3,(H,22,23)(H,24,25)