(3,5-dimethylphenyl)methanesulfonate; 2-methoxy-4-phenylazanyl-benzenediazonium

Systemtic Name: (3,5-dimethylphenyl)methanesulfonate; 2-methoxy-4-phenylazanyl-benzenediazonium Openeye Name: 4-anilino-2-methoxy-benzenediazonium; (3,5-dimethylphenyl)methanesulfonate CAS Name: 4-anilino-2-methoxybenzenediazonium; (3,5-dimethylphenyl)methanesulfonate IUPAC Name: 4-anilino-2-methoxybenzenediazonium; (3,5-dimethylphenyl)methanesulfonate Traditional Name: 4-anilino-2-methoxy-benzenediazonium; (3,5-dimethylphenyl)methanesulfonate Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.COC1=C(C=CC(=C1)NC2=CC=CC=C2)[N+]#N

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.COC1=C(C=CC(=C1)NC2=CC=CC=C2)[N+]#N

InChI

InChI=1S/C13H12N3O.C9H12O3S/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-7-3-8(2)5-9(4-7)6-13(10,11)12/h2-9,15H,1H3;3-5H,6H2,1-2H3,(H,10,11,12)/q+1;/p-1