2-methyl-1-(1-oxidanylbutan-2-yl)indole-3-sulfonic acid

Systemtic Name: 2-methyl-1-(1-oxidanylbutan-2-yl)indole-3-sulfonic acid Openeye Name: 1-[1-(hydroxymethyl)propyl]-2-methyl-indole-3-sulfonic acid CAS Name: 1-(1-hydroxybutan-2-yl)-2-methyl-3-indolesulfonic acid IUPAC Name: 1-(1-hydroxybutan-2-yl)-2-methylindole-3-sulfonic acid Traditional Name: 2-methyl-1-(1-methylolpropyl)indole-3-sulfonic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C(=C(C2=CC=CC=C21)S(=O)(=O)O)C

Isomeric SMILES

CCC(CO)N1C(=C(C2=CC=CC=C21)S(=O)(=O)O)C

InChI

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