(5-decyl-2-oxidanyl-phenyl)carbonyl-phenyl-sulfo-azanium bromide

Systemtic Name: (5-decyl-2-oxidanyl-phenyl)carbonyl-phenyl-sulfo-azanium bromide Openeye Name: (5-decyl-2-hydroxy-benzoyl)-phenyl-sulfo-ammonium bromide CAS Name: [(5-decyl-2-hydroxyphenyl)-oxomethyl]-phenyl-sulfoammonium bromide IUPAC Name: (5-decyl-2-hydroxybenzoyl)-phenyl-sulfoazanium bromide Traditional Name: (5-decyl-2-hydroxy-benzoyl)-phenyl-sulfo-ammonium bromide Formula: C23H32BrNO5S MolecularWeight: 514.47288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)O)C(=O)[NH+](C2=CC=CC=C2)S(=O)(=O)O.[Br-]

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)O)C(=O)[NH+](C2=CC=CC=C2)S(=O)(=O)O.[Br-]

InChI

InChI=1S/C23H31NO5S.BrH/c1-2-3-4-5-6-7-8-10-13-19-16-17-22(25)21(18-19)23(26)24(30(27,28)29)20-14-11-9-12-15-20;/h9,11-12,14-18,25H,2-8,10,13H2,1H3,(H,27,28,29);1H