6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-oxidanyl-hex-1-en-5-yne-1-diazonium

Systemtic Name: 6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-oxidanyl-hex-1-en-5-yne-1-diazonium Openeye Name: 6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-hydroxy-hex-1-en-5-yne-1-diazonium CAS Name: 6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-hydroxy-1-hex-1-en-5-ynediazonium IUPAC Name: 6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-hydroxyhex-1-en-5-yne-1-diazonium Traditional Name: 6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-hydroxy-hex-1-en-5-yne-1-diazonium Formula: C20H25N2OS2+ MolecularWeight: 373.5553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)C#CCCC(=C[N+]#N)O

Isomeric SMILES

CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)C#CCCC(=C[N+]#N)O

InChI

InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3/p+1