4-methylbenzenesulfonate; 2,4,6-trihexoxybenzenediazonium

Systemtic Name: 4-methylbenzenesulfonate; 2,4,6-trihexoxybenzenediazonium Openeye Name: 4-methylbenzenesulfonate; 2,4,6-trihexoxybenzenediazonium CAS Name: 4-methylbenzenesulfonate; 2,4,6-trihexoxybenzenediazonium IUPAC Name: 4-methylbenzenesulfonate; 2,4,6-trihexoxybenzenediazonium Traditional Name: 2,4,6-trihexoxybenzenediazonium tosylate Formula: C31H48N2O6S MolecularWeight: 576.78762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C(=C1)OCCCCCC)[N+]#N)OCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC(=C(C(=C1)OCCCCCC)[N+]#N)OCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C24H41N2O3.C7H8O3S/c1-4-7-10-13-16-27-21-19-22(28-17-14-11-8-5-2)24(26-25)23(20-21)29-18-15-12-9-6-3;1-6-2-4-7(5-3-6)11(8,9)10/h19-20H,4-18H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1