[4-(4-methoxyphenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(4-methoxyphenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(4-methoxyphenyl)-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-(4-methoxyphenyl)-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(4-methoxyphenyl)-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-keto-4-(4-methoxyphenyl)-1-phosphono-butyl]phosphonic acid Formula: C11H16O8P2 MolecularWeight: 338.187462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H16O8P2/c1-19-9-4-2-8(3-5-9)10(12)6-7-11(20(13,14)15)21(16,17)18/h2-5,11H,6-7H2,1H3,(H2,13,14,15)(H2,16,17,18)