5-chloranyl-2-methyl-benzenediazonium; 5-sulfonaphthalene-1-sulfonate

Systemtic Name: 5-chloranyl-2-methyl-benzenediazonium; 5-sulfonaphthalene-1-sulfonate Openeye Name: 5-chloro-2-methyl-benzenediazonium; 5-sulfonaphthalene-1-sulfonate CAS Name: 5-chloro-2-methylbenzenediazonium; 5-sulfo-1-naphthalenesulfonate IUPAC Name: 5-chloro-2-methylbenzenediazonium; 5-sulfonaphthalene-1-sulfonate Traditional Name: 5-chloro-2-methyl-benzenediazonium; 5-sulfonaphthalene-1-sulfonate Formula: C17H13ClN2O6S2 MolecularWeight: 440.87792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)[N+]#N.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)[N+]#N.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O

InChI

InChI=1S/C10H8O6S2.C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-5-2-3-6(8)4-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2-4H,1H3/q;+1/p-1