[2-[(3-methylphenoxy)methyl]-1-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [2-[(3-methylphenoxy)methyl]-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [1-hydroxy-2-[(3-methylphenoxy)methyl]-1-phosphono-pentyl]phosphonic acid CAS Name: [1-hydroxy-2-[(3-methylphenoxy)methyl]-1-phosphonopentyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[(3-methylphenoxy)methyl]-1-phosphonopentyl]phosphonic acid Traditional Name: [1-hydroxy-2-[(3-methylphenoxy)methyl]-1-phosphono-pentyl]phosphonic acid Formula: C13H22O8P2 MolecularWeight: 368.256502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O8P2/c1-3-5-11(9-21-12-7-4-6-10(2)8-12)13(14,22(15,16)17)23(18,19)20/h4,6-8,11,14H,3,5,9H2,1-2H3,(H2,15,16,17)(H2,18,19,20)