1-ethyl-2-methyl-indole-3-sulfonic acid

Systemtic Name: 1-ethyl-2-methyl-indole-3-sulfonic acid Openeye Name: 1-ethyl-2-methyl-indole-3-sulfonic acid CAS Name: 1-ethyl-2-methyl-3-indolesulfonic acid IUPAC Name: 1-ethyl-2-methylindole-3-sulfonic acid Traditional Name: 1-ethyl-2-methyl-indole-3-sulfonic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)S(=O)(=O)O)C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)S(=O)(=O)O)C

InChI

InChI=1S/C11H13NO3S/c1-3-12-8(2)11(16(13,14)15)9-6-4-5-7-10(9)12/h4-7H,3H2,1-2H3,(H,13,14,15)