4-methyl-5-[4-(4-methylphenyl)sulfonyloxy-3-oxidanyl-butyl]thiophene-2-carboxylic acid

Systemtic Name: 4-methyl-5-[4-(4-methylphenyl)sulfonyloxy-3-oxidanyl-butyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-hydroxy-4-(p-tolylsulfonyloxy)butyl]-4-methyl-thiophene-2-carboxylic acid CAS Name: 5-[3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl]-4-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl]-4-methylthiophene-2-carboxylic acid Traditional Name: 5-(3-hydroxy-4-tosyloxy-butyl)-4-methyl-2-thenoic acid Formula: C17H20O6S2 MolecularWeight: 384.4671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=C(C=C(S2)C(=O)O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=C(C=C(S2)C(=O)O)C)O

InChI

InChI=1S/C17H20O6S2/c1-11-3-6-14(7-4-11)25(21,22)23-10-13(18)5-8-15-12(2)9-16(24-15)17(19)20/h3-4,6-7,9,13,18H,5,8,10H2,1-2H3,(H,19,20)