[[4-[1-(4-hydroxyphenyl)-2-phenyl-ethyl]phenoxy]-oxidanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [[4-[1-(4-hydroxyphenyl)-2-phenyl-ethyl]phenoxy]-oxidanyl-phosphono-methyl]phosphonic acid Openeye Name: [hydroxy-[4-[1-(4-hydroxyphenyl)-2-phenyl-ethyl]phenoxy]-phosphono-methyl]phosphonic acid CAS Name: [hydroxy-[4-[1-(4-hydroxyphenyl)-2-phenylethyl]phenoxy]-phosphonomethyl]phosphonic acid IUPAC Name: [hydroxy-[4-[1-(4-hydroxyphenyl)-2-phenylethyl]phenoxy]-phosphonomethyl]phosphonic acid Traditional Name: [hydroxy-[4-[1-(4-hydroxyphenyl)-2-phenyl-ethyl]phenoxy]-phosphono-methyl]phosphonic acid Formula: C21H22O9P2 MolecularWeight: 480.341502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=C(C=C2)O)C3=CC=C(C=C3)OC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CC=C(C=C2)O)C3=CC=C(C=C3)OC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C21H22O9P2/c22-18-10-6-16(7-11-18)20(14-15-4-2-1-3-5-15)17-8-12-19(13-9-17)30-21(23,31(24,25)26)32(27,28)29/h1-13,20,22-23H,14H2,(H2,24,25,26)(H2,27,28,29)