4-(4-phenylsulfanylphenyl)-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-(4-phenylsulfanylphenyl)-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-(4-phenylsulfanylphenyl)-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(phenylthio)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-(4-phenylsulfanylphenyl)-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(phenylthio)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C16H19O6PS2 MolecularWeight: 402.422221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C16H19O6PS2/c17-23(18,19)16(25(20,21)22)8-4-5-13-9-11-15(12-10-13)24-14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H,20,21,22)