2-[[oxidanyl-(phenylmethyl)phosphoryl]methyl]octanedioic acid

Systemtic Name: 2-[[oxidanyl-(phenylmethyl)phosphoryl]methyl]octanedioic acid Openeye Name: 2-[[benzyl(hydroxy)phosphoryl]methyl]octanedioic acid CAS Name: 2-[[hydroxy-(phenylmethyl)phosphoryl]methyl]octanedioic acid IUPAC Name: 2-[[benzyl(hydroxy)phosphoryl]methyl]octanedioic acid Traditional Name: 2-[[benzyl(hydroxy)phosphoryl]methyl]suberic acid Formula: C16H23O6P MolecularWeight: 342.323981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CP(=O)(CC(CCCCCC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CP(=O)(CC(CCCCCC(=O)O)C(=O)O)O

InChI

InChI=1S/C16H23O6P/c17-15(18)10-6-2-5-9-14(16(19)20)12-23(21,22)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,18)(H,19,20)(H,21,22)