4-[6-(1H-imidazol-2-yl)hex-1-ynyl]benzenesulfinic acid

Systemtic Name: 4-[6-(1H-imidazol-2-yl)hex-1-ynyl]benzenesulfinic acid Openeye Name: 4-[6-(1H-imidazol-2-yl)hex-1-ynyl]benzenesulfinic acid CAS Name: 4-[6-(1H-imidazol-2-yl)hex-1-ynyl]benzenesulfinic acid IUPAC Name: 4-[6-(1H-imidazol-2-yl)hex-1-ynyl]benzenesulfinic acid Traditional Name: 4-[6-(1H-imidazol-2-yl)hex-1-ynyl]benzenesulfinic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCC2=NC=CN2)S(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#CCCCCC2=NC=CN2)S(=O)O

InChI

InChI=1S/C15H16N2O2S/c18-20(19)14-9-7-13(8-10-14)5-3-1-2-4-6-15-16-11-12-17-15/h7-12H,1-2,4,6H2,(H,16,17)(H,18,19)