2-(3-phenoxypropyl)-3-phosphono-butanedioic acid

Systemtic Name: 2-(3-phenoxypropyl)-3-phosphono-butanedioic acid Openeye Name: 2-(3-phenoxypropyl)-3-phosphono-butanedioic acid CAS Name: 2-(3-phenoxypropyl)-3-phosphonobutanedioic acid IUPAC Name: 2-(3-phenoxypropyl)-3-phosphonobutanedioic acid Traditional Name: 2-(3-phenoxypropyl)-3-phosphono-succinic acid Formula: C13H17O8P MolecularWeight: 332.243041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C13H17O8P/c14-12(15)10(11(13(16)17)22(18,19)20)7-4-8-21-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)(H,16,17)(H2,18,19,20)