1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-2H-indole-5-sulfonic acid bromide

Systemtic Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-2H-indole-5-sulfonic acid bromide Openeye Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-indoline-5-sulfonic acid bromide CAS Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-2H-indole-5-sulfonic acid bromide IUPAC Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-2H-indole-5-sulfonic acid bromide Traditional Name: 1-(3,5-dinitrobenzyl)-2,3,3-trimethyl-indoline-5-sulfonic acid bromide Formula: C18H19BrN3O7S- MolecularWeight: 501.32836

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C=CC(=C2)S(=O)(=O)O)(C)C.[Br-]

Isomeric SMILES

CC1C(C2=C(N1CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C=CC(=C2)S(=O)(=O)O)(C)C.[Br-]

InChI

InChI=1S/C18H19N3O7S.BrH/c1-11-18(2,3)16-9-15(29(26,27)28)4-5-17(16)19(11)10-12-6-13(20(22)23)8-14(7-12)21(24)25;/h4-9,11H,10H2,1-3H3,(H,26,27,28);1H/p-1