4-(3-thiophen-2-ylpropyl)benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCCC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14O3S2/c14-18(15,16)13-8-6-11(7-9-13)3-1-4-12-5-2-10-17-12/h2,5-10H,1,3-4H2,(H,14,15,16)/p-1