6-(2,3,3-trimethyl-5-sulfo-2H-indol-1-yl)hexanoic acid bromide

Systemtic Name: 6-(2,3,3-trimethyl-5-sulfo-2H-indol-1-yl)hexanoic acid bromide Openeye Name: 6-(2,3,3-trimethyl-5-sulfo-indolin-1-yl)hexanoic acid bromide CAS Name: 6-(2,3,3-trimethyl-5-sulfo-2H-indol-1-yl)hexanoic acid bromide IUPAC Name: 6-(2,3,3-trimethyl-5-sulfo-2H-indol-1-yl)hexanoic acid bromide Traditional Name: 6-(2,3,3-trimethyl-5-sulfo-indolin-1-yl)hexanoic acid bromide Formula: C17H25BrNO5S- MolecularWeight: 435.3531

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1CCCCCC(=O)O)C=CC(=C2)S(=O)(=O)O)(C)C.[Br-]

Isomeric SMILES

CC1C(C2=C(N1CCCCCC(=O)O)C=CC(=C2)S(=O)(=O)O)(C)C.[Br-]

InChI

InChI=1S/C17H25NO5S.BrH/c1-12-17(2,3)14-11-13(24(21,22)23)8-9-15(14)18(12)10-6-4-5-7-16(19)20;/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,20)(H,21,22,23);1H/p-1