2-[2-[oxidanyl(4-phenylbutyl)phosphoryl]oxypropanoyloxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[oxidanyl(4-phenylbutyl)phosphoryl]oxypropanoyloxy]-3-phenyl-propanoic acid Openeye Name: 2-[2-[hydroxy(4-phenylbutyl)phosphoryl]oxypropanoyloxy]-3-phenyl-propanoic acid CAS Name: 2-[2-[hydroxy(4-phenylbutyl)phosphoryl]oxy-1-oxopropoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-[hydroxy(4-phenylbutyl)phosphoryl]oxypropanoyloxy]-3-phenylpropanoic acid Traditional Name: 2-[2-[hydroxy(4-phenylbutyl)phosphoryl]oxypropanoyloxy]-3-phenyl-propionic acid Formula: C22H27O7P MolecularWeight: 434.419341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(CC1=CC=CC=C1)C(=O)O)OP(=O)(CCCCC2=CC=CC=C2)O

Isomeric SMILES

CC(C(=O)OC(CC1=CC=CC=C1)C(=O)O)OP(=O)(CCCCC2=CC=CC=C2)O

InChI

InChI=1S/C22H27O7P/c1-17(22(25)28-20(21(23)24)16-19-13-6-3-7-14-19)29-30(26,27)15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3,(H,23,24)(H,26,27)