(E)-1-(6-hexoxynaphthalen-2-yl)sulfonyl-3,3-dimethyl-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-1-(6-hexoxynaphthalen-2-yl)sulfonyl-3,3-dimethyl-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-1-[(6-hexoxy-2-naphthyl)sulfonyl]-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium CAS Name: (E)-1-[(6-hexoxy-2-naphthalenyl)sulfonyl]-2-hydroxy-3,3-dimethyl-1-butene-1-diazonium IUPAC Name: (E)-1-(6-hexoxynaphthalen-2-yl)sulfonyl-2-hydroxy-3,3-dimethylbut-1-ene-1-diazonium Traditional Name: (E)-1-[(6-hexoxy-2-naphthyl)sulfonyl]-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium Formula: C22H29N2O4S+ MolecularWeight: 417.54166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)C(=C(C(C)(C)C)O)[N+]#N

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)/C(=C(\C(C)(C)C)/O)/[N+]#N

InChI

InChI=1S/C22H28N2O4S/c1-5-6-7-8-13-28-18-11-9-17-15-19(12-10-16(17)14-18)29(26,27)21(24-23)20(25)22(2,3)4/h9-12,14-15H,5-8,13H2,1-4H3/p+1/b21-20+