[[4-(1,2-diphenylethyl)phenoxy]-oxidanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [[4-(1,2-diphenylethyl)phenoxy]-oxidanyl-phosphono-methyl]phosphonic acid Openeye Name: [[4-(1,2-diphenylethyl)phenoxy]-hydroxy-phosphono-methyl]phosphonic acid CAS Name: [[4-(1,2-diphenylethyl)phenoxy]-hydroxy-phosphonomethyl]phosphonic acid IUPAC Name: [[4-(1,2-diphenylethyl)phenoxy]-hydroxy-phosphonomethyl]phosphonic acid Traditional Name: [[4-(1,2-diphenylethyl)phenoxy]-hydroxy-phosphono-methyl]phosphonic acid Formula: C21H22O8P2 MolecularWeight: 464.342102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H22O8P2/c22-21(30(23,24)25,31(26,27)28)29-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-14,20,22H,15H2,(H2,23,24,25)(H2,26,27,28)