4-(4-iodanylbutylsulfanyl)-2-phenyl-chromenylium iodide

Systemtic Name: 4-(4-iodanylbutylsulfanyl)-2-phenyl-chromenylium iodide Openeye Name: 4-(4-iodobutylsulfanyl)-2-phenyl-chromenylium iodide CAS Name: 4-(4-iodobutylthio)-2-phenyl-1-benzopyrylium iodide IUPAC Name: 4-(4-iodobutylsulfanyl)-2-phenylchromenylium iodide Traditional Name: 4-(4-iodobutylthio)-2-phenyl-1-benzopyrylium iodide Formula: C19H18I2OS MolecularWeight: 548.21956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C(=C2)SCCCCI.[I-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C(=C2)SCCCCI.[I-]

InChI

InChI=1S/C19H18IOS.HI/c20-12-6-7-13-22-19-14-18(15-8-2-1-3-9-15)21-17-11-5-4-10-16(17)19;/h1-5,8-11,14H,6-7,12-13H2;1H/q+1;/p-1