2-[5-bromanyl-2-[3-(carboxymethyl)phenoxy]phenyl]-2-methylsulfinyl-ethanoic acid

Systemtic Name: 2-[5-bromanyl-2-[3-(carboxymethyl)phenoxy]phenyl]-2-methylsulfinyl-ethanoic acid Openeye Name: 2-[5-bromo-2-[3-(carboxymethyl)phenoxy]phenyl]-2-methylsulfinyl-acetic acid CAS Name: 2-[5-bromo-2-[3-(carboxymethyl)phenoxy]phenyl]-2-methylsulfinylacetic acid IUPAC Name: 2-[5-bromo-2-[3-(carboxymethyl)phenoxy]phenyl]-2-methylsulfinylacetic acid Traditional Name: 2-[5-bromo-2-[3-(carboxymethyl)phenoxy]phenyl]-2-methylsulfinyl-acetic acid Formula: C17H15BrO6S MolecularWeight: 427.2664

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C(C1=C(C=CC(=C1)Br)OC2=CC=CC(=C2)CC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)C(C1=C(C=CC(=C1)Br)OC2=CC=CC(=C2)CC(=O)O)C(=O)O

InChI

InChI=1S/C17H15BrO6S/c1-25(23)16(17(21)22)13-9-11(18)5-6-14(13)24-12-4-2-3-10(7-12)8-15(19)20/h2-7,9,16H,8H2,1H3,(H,19,20)(H,21,22)