1-ethyl-2,5-dimethyl-3H-indole-2-sulfonic acid

Systemtic Name: 1-ethyl-2,5-dimethyl-3H-indole-2-sulfonic acid Openeye Name: 1-ethyl-2,5-dimethyl-indoline-2-sulfonic acid CAS Name: 1-ethyl-2,5-dimethyl-3H-indole-2-sulfonic acid IUPAC Name: 1-ethyl-2,5-dimethyl-3H-indole-2-sulfonic acid Traditional Name: 1-ethyl-2,5-dimethyl-indoline-2-sulfonic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC1(C)S(=O)(=O)O)C=C(C=C2)C

Isomeric SMILES

CCN1C2=C(CC1(C)S(=O)(=O)O)C=C(C=C2)C

InChI

InChI=1S/C12H17NO3S/c1-4-13-11-6-5-9(2)7-10(11)8-12(13,3)17(14,15)16/h5-7H,4,8H2,1-3H3,(H,14,15,16)