(3,4-dicarboxyphenyl)methyl-methyl-octyl-sulfanium chloride

Systemtic Name: (3,4-dicarboxyphenyl)methyl-methyl-octyl-sulfanium chloride Openeye Name: (3,4-dicarboxyphenyl)methyl-methyl-octyl-sulfonium chloride CAS Name: (3,4-dicarboxyphenyl)methyl-methyl-octylsulfonium chloride IUPAC Name: (3,4-dicarboxyphenyl)methyl-methyl-octylsulfanium chloride Traditional Name: (3,4-dicarboxybenzyl)-methyl-octyl-sulfonium chloride Formula: C18H27ClO4S MolecularWeight: 374.92258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[S+](C)CC1=CC(=C(C=C1)C(=O)O)C(=O)O.[Cl-]

Isomeric SMILES

CCCCCCCC[S+](C)CC1=CC(=C(C=C1)C(=O)O)C(=O)O.[Cl-]

InChI

InChI=1S/C18H26O4S.ClH/c1-3-4-5-6-7-8-11-23(2)13-14-9-10-15(17(19)20)16(12-14)18(21)22;/h9-10,12H,3-8,11,13H2,1-2H3,(H-,19,20,21,22);1H