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

Systemtic Name: 1-(2-acetyloxybutyl)-2-methyl-3H-indole-2-sulfonic acid Openeye Name: 1-(2-acetoxybutyl)-2-methyl-indoline-2-sulfonic acid CAS Name: 1-(2-acetyloxybutyl)-2-methyl-3H-indole-2-sulfonic acid IUPAC Name: 1-(2-acetyloxybutyl)-2-methyl-3H-indole-2-sulfonic acid Traditional Name: 1-(2-acetoxybutyl)-2-methyl-indoline-2-sulfonic acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-4-13(21-11(2)17)10-16-14-8-6-5-7-12(14)9-15(16,3)22(18,19)20/h5-8,13H,4,9-10H2,1-3H3,(H,18,19,20)