[6-(2-hydroxyphenyl)-1-(4-oxidanylphenoxy)-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-(2-hydroxyphenyl)-1-(4-oxidanylphenoxy)-1-phosphono-hexyl]phosphonic acid Openeye Name: [1-(4-hydroxyphenoxy)-6-(2-hydroxyphenyl)-1-phosphono-hexyl]phosphonic acid CAS Name: [1-(4-hydroxyphenoxy)-6-(2-hydroxyphenyl)-1-phosphonohexyl]phosphonic acid IUPAC Name: [1-(4-hydroxyphenoxy)-6-(2-hydroxyphenyl)-1-phosphonohexyl]phosphonic acid Traditional Name: [1-(4-hydroxyphenoxy)-6-(2-hydroxyphenyl)-1-phosphono-hexyl]phosphonic acid Formula: C18H24O9P2 MolecularWeight: 446.325282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCCCC(OC2=CC=C(C=C2)O)(P(=O)(O)O)P(=O)(O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCCCCC(OC2=CC=C(C=C2)O)(P(=O)(O)O)P(=O)(O)O)O

InChI

InChI=1S/C18H24O9P2/c19-15-9-11-16(12-10-15)27-18(28(21,22)23,29(24,25)26)13-5-1-2-6-14-7-3-4-8-17(14)20/h3-4,7-12,19-20H,1-2,5-6,13H2,(H2,21,22,23)(H2,24,25,26)