3-[(3,5-dimethoxy-2-methyl-phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(3,5-dimethoxy-2-methyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(3,5-dimethoxy-2-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(3,5-dimethoxy-2-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-(3,5-dimethoxy-2-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(3,5-dimethoxy-2-methyl-anilino)propane-1-sulfonic acid Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1NCCCS(=O)(=O)O)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1NCCCS(=O)(=O)O)OC)OC

InChI

InChI=1S/C12H19NO5S/c1-9-11(13-5-4-6-19(14,15)16)7-10(17-2)8-12(9)18-3/h7-8,13H,4-6H2,1-3H3,(H,14,15,16)