4-[4-(4-bromophenyl)sulfanylphenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-(4-bromophenyl)sulfanylphenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(4-bromophenyl)sulfanylphenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-[(4-bromophenyl)thio]phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(4-bromophenyl)sulfanylphenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-[(4-bromophenyl)thio]phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C16H18BrO6PS2 MolecularWeight: 481.318281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(P(=O)(O)O)S(=O)(=O)O)SC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1CCCC(P(=O)(O)O)S(=O)(=O)O)SC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrO6PS2/c17-13-6-10-15(11-7-13)25-14-8-4-12(5-9-14)2-1-3-16(24(18,19)20)26(21,22)23/h4-11,16H,1-3H2,(H2,18,19,20)(H,21,22,23)