4-(2-azanyl-4,6-dimethyl-phenyl)butane-1-sulfonic acid

Systemtic Name: 4-(2-azanyl-4,6-dimethyl-phenyl)butane-1-sulfonic acid Openeye Name: 4-(2-amino-4,6-dimethyl-phenyl)butane-1-sulfonic acid CAS Name: 4-(2-amino-4,6-dimethylphenyl)-1-butanesulfonic acid IUPAC Name: 4-(2-amino-4,6-dimethylphenyl)butane-1-sulfonic acid Traditional Name: 4-(2-amino-4,6-dimethyl-phenyl)butane-1-sulfonic acid Formula: C12H19NO3S MolecularWeight: 257.34916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N)CCCCS(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N)CCCCS(=O)(=O)O)C

InChI

InChI=1S/C12H19NO3S/c1-9-7-10(2)11(12(13)8-9)5-3-4-6-17(14,15)16/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)