[3-(3-methylphenyl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(3-methylphenyl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(m-tolyl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(3-methylphenyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(3-methylphenyl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(m-tolyl)-1-phosphono-propyl]phosphonic acid Formula: C10H16O6P2 MolecularWeight: 294.177962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16O6P2/c1-8-3-2-4-9(7-8)5-6-10(17(11,12)13)18(14,15)16/h2-4,7,10H,5-6H2,1H3,(H2,11,12,13)(H2,14,15,16)