4-(3-thiophen-2-ylpropyl)benzenesulfonic acid

Systemtic Name: 4-(3-thiophen-2-ylpropyl)benzenesulfonic acid Openeye Name: 4-[3-(2-thienyl)propyl]benzenesulfonic acid CAS Name: 4-(3-thiophen-2-ylpropyl)benzenesulfonic acid IUPAC Name: 4-(3-thiophen-2-ylpropyl)benzenesulfonic acid Traditional Name: 4-[3-(2-thienyl)propyl]besylic acid Formula: C13H14O3S2 MolecularWeight: 282.37846

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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)