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

Systemtic Name: 1-(2-ethoxycarbonyloxybutyl)-2-methyl-3H-indole-2-sulfonic acid Openeye Name: 1-(2-ethoxycarbonyloxybutyl)-2-methyl-indoline-2-sulfonic acid CAS Name: 1-(2-ethoxycarbonyloxybutyl)-2-methyl-3H-indole-2-sulfonic acid IUPAC Name: 1-(2-ethoxycarbonyloxybutyl)-2-methyl-3H-indole-2-sulfonic acid Traditional Name: 1-(2-carbethoxyoxybutyl)-2-methyl-indoline-2-sulfonic acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO6S/c1-4-13(23-15(18)22-5-2)11-17-14-9-7-6-8-12(14)10-16(17,3)24(19,20)21/h6-9,13H,4-5,10-11H2,1-3H3,(H,19,20,21)