2-(2-phenyl-2-phosphono-ethyl)-2-phosphono-butanedioic acid

Systemtic Name: 2-(2-phenyl-2-phosphono-ethyl)-2-phosphono-butanedioic acid Openeye Name: 2-(2-phenyl-2-phosphono-ethyl)-2-phosphono-butanedioic acid CAS Name: 2-(2-phenyl-2-phosphonoethyl)-2-phosphonobutanedioic acid IUPAC Name: 2-(2-phenyl-2-phosphonoethyl)-2-phosphonobutanedioic acid Traditional Name: 2-(2-phenyl-2-phosphono-ethyl)-2-phosphono-succinic acid Formula: C12H16O10P2 MolecularWeight: 382.196962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O10P2/c13-10(14)7-12(11(15)16,24(20,21)22)6-9(23(17,18)19)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)