4-chloranylbenzenesulfonate; 4-(cyclohexylamino)-3-methoxy-benzenediazonium

Systemtic Name: 4-chloranylbenzenesulfonate; 4-(cyclohexylamino)-3-methoxy-benzenediazonium Openeye Name: 4-chlorobenzenesulfonate; 4-(cyclohexylamino)-3-methoxy-benzenediazonium CAS Name: 4-chlorobenzenesulfonate; 4-(cyclohexylamino)-3-methoxybenzenediazonium IUPAC Name: 4-chlorobenzenesulfonate; 4-(cyclohexylamino)-3-methoxybenzenediazonium Traditional Name: 4-chlorobesylate; 4-(cyclohexylamino)-3-methoxy-benzenediazonium Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+]#N)NC2CCCCC2.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+]#N)NC2CCCCC2.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C13H18N3O.C6H5ClO3S/c1-17-13-9-11(16-14)7-8-12(13)15-10-5-3-2-4-6-10;7-5-1-3-6(4-2-5)11(8,9)10/h7-10,15H,2-6H2,1H3;1-4H,(H,8,9,10)/q+1;/p-1