4-[3-(3-chloranyl-4-methyl-phenyl)sulfonylpropoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-(3-chloranyl-4-methyl-phenyl)sulfonylpropoxy]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-(3-chloro-4-methyl-phenyl)sulfonylpropoxy]-2-hydroxy-benzoic acid CAS Name: 4-[3-(3-chloro-4-methylphenyl)sulfonylpropoxy]-2-hydroxybenzoic acid IUPAC Name: 4-[3-(3-chloro-4-methylphenyl)sulfonylpropoxy]-2-hydroxybenzoic acid Traditional Name: 4-[3-(3-chloro-4-methyl-phenyl)sulfonylpropoxy]-2-hydroxy-benzoic acid Formula: C17H17ClO6S MolecularWeight: 384.83128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCCOC2=CC(=C(C=C2)C(=O)O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCCOC2=CC(=C(C=C2)C(=O)O)O)Cl

InChI

InChI=1S/C17H17ClO6S/c1-11-3-5-13(10-15(11)18)25(22,23)8-2-7-24-12-4-6-14(17(20)21)16(19)9-12/h3-6,9-10,19H,2,7-8H2,1H3,(H,20,21)