4-dodecylbenzenesulfonate; 2,4,6-triethoxybenzenediazonium

Systemtic Name: 4-dodecylbenzenesulfonate; 2,4,6-triethoxybenzenediazonium Openeye Name: 4-dodecylbenzenesulfonate; 2,4,6-triethoxybenzenediazonium CAS Name: 4-dodecylbenzenesulfonate; 2,4,6-triethoxybenzenediazonium IUPAC Name: 4-dodecylbenzenesulfonate; 2,4,6-triethoxybenzenediazonium Traditional Name: 4-laurylbesylate; 2,4,6-triethoxybenzenediazonium Formula: C30H46N2O6S MolecularWeight: 562.76104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCOC1=CC(=C(C(=C1)OCC)[N+]#N)OCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCOC1=CC(=C(C(=C1)OCC)[N+]#N)OCC

InChI

InChI=1S/C18H30O3S.C12H17N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-4-15-9-7-10(16-5-2)12(14-13)11(8-9)17-6-3/h13-16H,2-12H2,1H3,(H,19,20,21);7-8H,4-6H2,1-3H3/q;+1/p-1