3-butan-2-ylsulfanyl-5-chloranylsulfonyl-4-phenoxy-benzoic acid

Systemtic Name: 3-butan-2-ylsulfanyl-5-chloranylsulfonyl-4-phenoxy-benzoic acid Openeye Name: 3-chlorosulfonyl-4-phenoxy-5-sec-butylsulfanyl-benzoic acid CAS Name: 3-(butan-2-ylthio)-5-chlorosulfonyl-4-phenoxybenzoic acid IUPAC Name: 3-butan-2-ylsulfanyl-5-chlorosulfonyl-4-phenoxybenzoic acid Traditional Name: 3-chlorosulfonyl-4-phenoxy-5-(sec-butylthio)benzoic acid Formula: C17H17ClO5S2 MolecularWeight: 400.89688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)OC2=CC=CC=C2

Isomeric SMILES

CCC(C)SC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)OC2=CC=CC=C2

InChI

InChI=1S/C17H17ClO5S2/c1-3-11(2)24-14-9-12(17(19)20)10-15(25(18,21)22)16(14)23-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,19,20)