2-(4-carboxyphenoxy)-3-methylsulfonyl-benzoic acid

Systemtic Name: 2-(4-carboxyphenoxy)-3-methylsulfonyl-benzoic acid Openeye Name: 2-(4-carboxyphenoxy)-3-methylsulfonyl-benzoic acid CAS Name: 2-(4-carboxyphenoxy)-3-methylsulfonylbenzoic acid IUPAC Name: 2-(4-carboxyphenoxy)-3-methylsulfonylbenzoic acid Traditional Name: 2-(4-carboxyphenoxy)-3-mesyl-benzoic acid Formula: C15H12O7S MolecularWeight: 336.31658

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1OC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1OC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12O7S/c1-23(20,21)12-4-2-3-11(15(18)19)13(12)22-10-7-5-9(6-8-10)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19)