3-[4-[4-(2-carboxyethylsulfonyl)phenyl]phenyl]sulfonylpropanoic acid

Systemtic Name: 3-[4-[4-(2-carboxyethylsulfonyl)phenyl]phenyl]sulfonylpropanoic acid Openeye Name: 3-[4-[4-(2-carboxyethylsulfonyl)phenyl]phenyl]sulfonylpropanoic acid CAS Name: 3-[4-[4-(2-carboxyethylsulfonyl)phenyl]phenyl]sulfonylpropanoic acid IUPAC Name: 3-[4-[4-(2-carboxyethylsulfonyl)phenyl]phenyl]sulfonylpropanoic acid Traditional Name: 3-[4-[4-(2-carboxyethylsulfonyl)phenyl]phenyl]sulfonylpropionic acid Formula: C18H18O8S2 MolecularWeight: 426.46072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)CCC(=O)O)S(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)CCC(=O)O)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C18H18O8S2/c19-17(20)9-11-27(23,24)15-5-1-13(2-6-15)14-3-7-16(8-4-14)28(25,26)12-10-18(21)22/h1-8H,9-12H2,(H,19,20)(H,21,22)