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

Systemtic Name: 2-methyl-1-(1-oxidanylpentan-2-yl)indole-3-sulfonic acid Openeye Name: 1-[1-(hydroxymethyl)butyl]-2-methyl-indole-3-sulfonic acid CAS Name: 1-(1-hydroxypentan-2-yl)-2-methyl-3-indolesulfonic acid IUPAC Name: 1-(1-hydroxypentan-2-yl)-2-methylindole-3-sulfonic acid Traditional Name: 2-methyl-1-(1-methylolbutyl)indole-3-sulfonic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-3-6-11(9-16)15-10(2)14(20(17,18)19)12-7-4-5-8-13(12)15/h4-5,7-8,11,16H,3,6,9H2,1-2H3,(H,17,18,19)