4-[3-[2-(phenylmethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[3-[2-(phenylmethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[3-(2-benzylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[3-[2-(phenylmethyl)phenoxy]phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[3-(2-benzylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C23H25O7PS MolecularWeight: 476.479161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2OC3=CC=CC(=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2OC3=CC=CC(=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C23H25O7PS/c24-31(25,26)23(32(27,28)29)15-7-11-19-10-6-13-21(17-19)30-22-14-5-4-12-20(22)16-18-8-2-1-3-9-18/h1-6,8-10,12-14,17,23H,7,11,15-16H2,(H2,24,25,26)(H,27,28,29)