[2-(3-methylphenyl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-methylphenyl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(m-tolyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(3-methylphenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(3-methylphenyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(m-tolyl)-1-phosphono-ethyl]phosphonic acid Formula: C9H14O7P2 MolecularWeight: 296.150782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H14O7P2/c1-7-3-2-4-8(5-7)6-9(10,17(11,12)13)18(14,15)16/h2-5,10H,6H2,1H3,(H2,11,12,13)(H2,14,15,16)