[7-oxidanyl-1-(4-oxidanylphenoxy)-1-phosphono-heptyl]phosphonic acid

Systemtic Name: [7-oxidanyl-1-(4-oxidanylphenoxy)-1-phosphono-heptyl]phosphonic acid Openeye Name: [7-hydroxy-1-(4-hydroxyphenoxy)-1-phosphono-heptyl]phosphonic acid CAS Name: [7-hydroxy-1-(4-hydroxyphenoxy)-1-phosphonoheptyl]phosphonic acid IUPAC Name: [7-hydroxy-1-(4-hydroxyphenoxy)-1-phosphonoheptyl]phosphonic acid Traditional Name: [7-hydroxy-1-(4-hydroxyphenoxy)-1-phosphono-heptyl]phosphonic acid Formula: C13H22O9P2 MolecularWeight: 384.255902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC(CCCCCCO)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1O)OC(CCCCCCO)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H22O9P2/c14-10-4-2-1-3-9-13(23(16,17)18,24(19,20)21)22-12-7-5-11(15)6-8-12/h5-8,14-15H,1-4,9-10H2,(H2,16,17,18)(H2,19,20,21)