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

Systemtic Name: (Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-oxidanyl-but-1-en-3-yne-1-diazonium Openeye Name: (Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-hydroxy-but-1-en-3-yne-1-diazonium CAS Name: (Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-hydroxy-1-but-1-en-3-ynediazonium IUPAC Name: (Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-hydroxybut-1-en-3-yne-1-diazonium Traditional Name: (Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-2-hydroxy-but-1-en-3-yne-1-diazonium Formula: C18H21N2OS2+ MolecularWeight: 345.50214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3/p+1/b16-10-