4-(3-phenylmethoxyphenyl)-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-(3-phenylmethoxyphenyl)-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-(3-benzyloxyphenyl)-1-phosphono-butane-1-sulfonic acid CAS Name: 4-(3-phenylmethoxyphenyl)-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-(3-phenylmethoxyphenyl)-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-(3-benzoxyphenyl)-1-phosphono-butane-1-sulfonic acid Formula: C17H21O7PS MolecularWeight: 400.383201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C17H21O7PS/c18-25(19,20)17(26(21,22)23)11-5-9-14-8-4-10-16(12-14)24-13-15-6-2-1-3-7-15/h1-4,6-8,10,12,17H,5,9,11,13H2,(H2,18,19,20)(H,21,22,23)