3-chloranylsulfonyl-5-(2-methylpropylsulfanyl)-4-phenoxy-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-5-(2-methylpropylsulfanyl)-4-phenoxy-benzoic acid Openeye Name: 3-chlorosulfonyl-5-isobutylsulfanyl-4-phenoxy-benzoic acid CAS Name: 3-chlorosulfonyl-5-(2-methylpropylthio)-4-phenoxybenzoic acid IUPAC Name: 3-chlorosulfonyl-5-(2-methylpropylsulfanyl)-4-phenoxybenzoic acid Traditional Name: 3-chlorosulfonyl-5-(isobutylthio)-4-phenoxy-benzoic acid Formula: C17H17ClO5S2 MolecularWeight: 400.89688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)OC2=CC=CC=C2

Isomeric SMILES

CC(C)CSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)OC2=CC=CC=C2

InChI

InChI=1S/C17H17ClO5S2/c1-11(2)10-24-14-8-12(17(19)20)9-15(25(18,21)22)16(14)23-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,19,20)