2-methyl-1-(2-oxidanylpropyl)indole-3-sulfonic acid

Systemtic Name: 2-methyl-1-(2-oxidanylpropyl)indole-3-sulfonic acid Openeye Name: 1-(2-hydroxypropyl)-2-methyl-indole-3-sulfonic acid CAS Name: 1-(2-hydroxypropyl)-2-methyl-3-indolesulfonic acid IUPAC Name: 1-(2-hydroxypropyl)-2-methylindole-3-sulfonic acid Traditional Name: 1-(2-hydroxypropyl)-2-methyl-indole-3-sulfonic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(C)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(C)O)S(=O)(=O)O

InChI

InChI=1S/C12H15NO4S/c1-8(14)7-13-9(2)12(18(15,16)17)10-5-3-4-6-11(10)13/h3-6,8,14H,7H2,1-2H3,(H,15,16,17)