1-[2-(ethylamino)-6-methyl-phenyl]propane-1-sulfonic acid

Systemtic Name: 1-[2-(ethylamino)-6-methyl-phenyl]propane-1-sulfonic acid Openeye Name: 1-[2-(ethylamino)-6-methyl-phenyl]propane-1-sulfonic acid CAS Name: 1-[2-(ethylamino)-6-methylphenyl]-1-propanesulfonic acid IUPAC Name: 1-[2-(ethylamino)-6-methylphenyl]propane-1-sulfonic acid Traditional Name: 1-[2-(ethylamino)-6-methyl-phenyl]propane-1-sulfonic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC=C1NCC)C)S(=O)(=O)O

Isomeric SMILES

CCC(C1=C(C=CC=C1NCC)C)S(=O)(=O)O

InChI

InChI=1S/C12H19NO3S/c1-4-11(17(14,15)16)12-9(3)7-6-8-10(12)13-5-2/h6-8,11,13H,4-5H2,1-3H3,(H,14,15,16)