4-methyl-3-(2-thiophen-2-ylethyl)benzenesulfonate

Systemtic Name: 4-methyl-3-(2-thiophen-2-ylethyl)benzenesulfonate Openeye Name: 4-methyl-3-[2-(2-thienyl)ethyl]benzenesulfonate CAS Name: 4-methyl-3-(2-thiophen-2-ylethyl)benzenesulfonate IUPAC Name: 4-methyl-3-(2-thiophen-2-ylethyl)benzenesulfonate Traditional Name: 4-methyl-3-[2-(2-thienyl)ethyl]besylate Formula: C13H13O3S2- MolecularWeight: 281.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])CCC2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])CCC2=CC=CS2

InChI

InChI=1S/C13H14O3S2/c1-10-4-7-13(18(14,15)16)9-11(10)5-6-12-3-2-8-17-12/h2-4,7-9H,5-6H2,1H3,(H,14,15,16)/p-1