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

Systemtic Name: 2-methyl-2-(1-oxidanylbutyl)indole-3-sulfonic acid Openeye Name: 2-(1-hydroxybutyl)-2-methyl-indole-3-sulfonic acid CAS Name: 2-(1-hydroxybutyl)-2-methyl-3-indolesulfonic acid IUPAC Name: 2-(1-hydroxybutyl)-2-methylindole-3-sulfonic acid Traditional Name: 2-(1-hydroxybutyl)-2-methyl-indole-3-sulfonic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1(C(=C2C=CC=CC2=N1)S(=O)(=O)O)C)O

Isomeric SMILES

CCCC(C1(C(=C2C=CC=CC2=N1)S(=O)(=O)O)C)O

InChI

InChI=1S/C13H17NO4S/c1-3-6-11(15)13(2)12(19(16,17)18)9-7-4-5-8-10(9)14-13/h4-5,7-8,11,15H,3,6H2,1-2H3,(H,16,17,18)