4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-benzoic acid Openeye Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoic acid CAS Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoic acid IUPAC Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoic acid Traditional Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoic acid Formula: C13H18FNO8S2 MolecularWeight: 399.412323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=C(C=C(C=C1)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=C(C=C(C=C1)C(=O)O)F

InChI

InChI=1S/C13H18FNO8S2/c1-24(18,19)22-7-5-15(6-8-23-25(2,20)21)12-4-3-10(13(16)17)9-11(12)14/h3-4,9H,5-8H2,1-2H3,(H,16,17)