[7-(2-hydroxyphenyl)-1-(4-oxidanylphenoxy)-1-phosphono-heptyl]phosphonic acid

Systemtic Name: [7-(2-hydroxyphenyl)-1-(4-oxidanylphenoxy)-1-phosphono-heptyl]phosphonic acid Openeye Name: [1-(4-hydroxyphenoxy)-7-(2-hydroxyphenyl)-1-phosphono-heptyl]phosphonic acid CAS Name: [1-(4-hydroxyphenoxy)-7-(2-hydroxyphenyl)-1-phosphonoheptyl]phosphonic acid IUPAC Name: [1-(4-hydroxyphenoxy)-7-(2-hydroxyphenyl)-1-phosphonoheptyl]phosphonic acid Traditional Name: [1-(4-hydroxyphenoxy)-7-(2-hydroxyphenyl)-1-phosphono-heptyl]phosphonic acid Formula: C19H26O9P2 MolecularWeight: 460.351862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26O9P2/c20-16-10-12-17(13-11-16)28-19(29(22,23)24,30(25,26)27)14-6-2-1-3-7-15-8-4-5-9-18(15)21/h4-5,8-13,20-21H,1-3,6-7,14H2,(H2,22,23,24)(H2,25,26,27)