4-methyl-3-[4-(4-methylphenyl)sulfonyloxybutyl]thiophene-2-carboxylic acid

Systemtic Name: 4-methyl-3-[4-(4-methylphenyl)sulfonyloxybutyl]thiophene-2-carboxylic acid Openeye Name: 4-methyl-3-[4-(p-tolylsulfonyloxy)butyl]thiophene-2-carboxylic acid CAS Name: 4-methyl-3-[4-(4-methylphenyl)sulfonyloxybutyl]-2-thiophenecarboxylic acid IUPAC Name: 4-methyl-3-[4-(4-methylphenyl)sulfonyloxybutyl]thiophene-2-carboxylic acid Traditional Name: 4-methyl-3-(4-tosyloxybutyl)-2-thenoic acid Formula: C17H20O5S2 MolecularWeight: 368.4677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=C(SC=C2C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=C(SC=C2C)C(=O)O

InChI

InChI=1S/C17H20O5S2/c1-12-6-8-14(9-7-12)24(20,21)22-10-4-3-5-15-13(2)11-23-16(15)17(18)19/h6-9,11H,3-5,10H2,1-2H3,(H,18,19)