2-ethyl-4-(3-methoxyphenoxy)-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-ethyl-4-(3-methoxyphenoxy)-5-methylsulfonyl-benzoic acid Openeye Name: 2-ethyl-4-(3-methoxyphenoxy)-5-methylsulfonyl-benzoic acid CAS Name: 2-ethyl-4-(3-methoxyphenoxy)-5-methylsulfonylbenzoic acid IUPAC Name: 2-ethyl-4-(3-methoxyphenoxy)-5-methylsulfonylbenzoic acid Traditional Name: 2-ethyl-5-mesyl-4-(3-methoxyphenoxy)benzoic acid Formula: C17H18O6S MolecularWeight: 350.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC(=CC=C2)OC

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H18O6S/c1-4-11-8-15(23-13-7-5-6-12(9-13)22-2)16(24(3,20)21)10-14(11)17(18)19/h5-10H,4H2,1-3H3,(H,18,19)