3-(4-phenoxyphenyl)-1-phosphono-propane-1-sulfonic acid

Systemtic Name: 3-(4-phenoxyphenyl)-1-phosphono-propane-1-sulfonic acid Openeye Name: 3-(4-phenoxyphenyl)-1-phosphono-propane-1-sulfonic acid CAS Name: 3-(4-phenoxyphenyl)-1-phosphono-1-propanesulfonic acid IUPAC Name: 3-(4-phenoxyphenyl)-1-phosphonopropane-1-sulfonic acid Traditional Name: 3-(4-phenoxyphenyl)-1-phosphono-propane-1-sulfonic acid Formula: C15H17O7PS MolecularWeight: 372.330041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C15H17O7PS/c16-23(17,18)15(24(19,20)21)11-8-12-6-9-14(10-7-12)22-13-4-2-1-3-5-13/h1-7,9-10,15H,8,11H2,(H2,16,17,18)(H,19,20,21)