2-[oxidanyl-(phenylmethyl)phosphoryl]oxyhexanedioic acid

Systemtic Name: 2-[oxidanyl-(phenylmethyl)phosphoryl]oxyhexanedioic acid Openeye Name: 2-[benzyl(hydroxy)phosphoryl]oxyhexanedioic acid CAS Name: 2-[hydroxy-(phenylmethyl)phosphoryl]oxyhexanedioic acid IUPAC Name: 2-[benzyl(hydroxy)phosphoryl]oxyhexanedioic acid Traditional Name: 2-[benzyl(hydroxy)phosphoryl]oxyadipic acid Formula: C13H17O7P MolecularWeight: 316.243641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CP(=O)(O)OC(CCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CP(=O)(O)OC(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C13H17O7P/c14-12(15)8-4-7-11(13(16)17)20-21(18,19)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)(H,16,17)(H,18,19)