2-methyl-1-(2-oxidanylbutyl)-3H-indole-2-sulfonic acid

Systemtic Name: 2-methyl-1-(2-oxidanylbutyl)-3H-indole-2-sulfonic acid Openeye Name: 1-(2-hydroxybutyl)-2-methyl-indoline-2-sulfonic acid CAS Name: 1-(2-hydroxybutyl)-2-methyl-3H-indole-2-sulfonic acid IUPAC Name: 1-(2-hydroxybutyl)-2-methyl-3H-indole-2-sulfonic acid Traditional Name: 1-(2-hydroxybutyl)-2-methyl-indoline-2-sulfonic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C2=CC=CC=C2CC1(C)S(=O)(=O)O)O

Isomeric SMILES

CCC(CN1C2=CC=CC=C2CC1(C)S(=O)(=O)O)O

InChI

InChI=1S/C13H19NO4S/c1-3-11(15)9-14-12-7-5-4-6-10(12)8-13(14,2)19(16,17)18/h4-7,11,15H,3,8-9H2,1-2H3,(H,16,17,18)