2-[4-[[(2-methoxy-2-oxidanylidene-ethyl)-pentyl-phosphoryl]oxymethyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[(2-methoxy-2-oxidanylidene-ethyl)-pentyl-phosphoryl]oxymethyl]phenyl]benzoic acid Openeye Name: 2-[4-[[(2-methoxy-2-oxo-ethyl)-pentyl-phosphoryl]oxymethyl]phenyl]benzoic acid CAS Name: 2-[4-[[(2-methoxy-2-oxoethyl)-pentylphosphoryl]oxymethyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[(2-methoxy-2-oxoethyl)-pentylphosphoryl]oxymethyl]phenyl]benzoic acid Traditional Name: 2-[4-[[amyl-(2-keto-2-methoxy-ethyl)phosphoryl]oxymethyl]phenyl]benzoic acid Formula: C22H27O6P MolecularWeight: 418.419941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCP(=O)(CC(=O)OC)OCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCP(=O)(CC(=O)OC)OCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C22H27O6P/c1-3-4-7-14-29(26,16-21(23)27-2)28-15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)22(24)25/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,24,25)