3-(2-oxidanyl-2-oxidanylidene-1-phosphono-ethoxy)-5-phosphonooxy-benzoic acid

Systemtic Name: 3-(2-oxidanyl-2-oxidanylidene-1-phosphono-ethoxy)-5-phosphonooxy-benzoic acid Openeye Name: 3-(2-hydroxy-2-oxo-1-phosphono-ethoxy)-5-phosphonooxy-benzoic acid CAS Name: 3-(2-hydroxy-2-oxo-1-phosphonoethoxy)-5-phosphonooxybenzoic acid IUPAC Name: 3-(2-hydroxy-2-oxo-1-phosphonoethoxy)-5-phosphonooxybenzoic acid Traditional Name: 3-(2-hydroxy-2-keto-1-phosphono-ethoxy)-5-phosphonooxy-benzoic acid Formula: C9H10O12P2 MolecularWeight: 372.116022

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1OC(C(=O)O)P(=O)(O)O)OP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1OC(C(=O)O)P(=O)(O)O)OP(=O)(O)O)C(=O)O

InChI

InChI=1S/C9H10O12P2/c10-7(11)4-1-5(3-6(2-4)21-23(17,18)19)20-9(8(12)13)22(14,15)16/h1-3,9H,(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19)