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

Systemtic Name: 2-methyl-1-(2-oxidanylpentyl)-3H-indole-2-sulfonic acid Openeye Name: 1-(2-hydroxypentyl)-2-methyl-indoline-2-sulfonic acid CAS Name: 1-(2-hydroxypentyl)-2-methyl-3H-indole-2-sulfonic acid IUPAC Name: 1-(2-hydroxypentyl)-2-methyl-3H-indole-2-sulfonic acid Traditional Name: 1-(2-hydroxypentyl)-2-methyl-indoline-2-sulfonic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-3-6-12(16)10-15-13-8-5-4-7-11(13)9-14(15,2)20(17,18)19/h4-5,7-8,12,16H,3,6,9-10H2,1-2H3,(H,17,18,19)