(3-azaniumyl-2,4,6-trimethyl-5-sulfo-phenyl)azanium dichloride

Systemtic Name: (3-azaniumyl-2,4,6-trimethyl-5-sulfo-phenyl)azanium dichloride Openeye Name: (3-azaniumyl-2,4,6-trimethyl-5-sulfo-phenyl)ammonium dichloride CAS Name: (3-ammonio-2,4,6-trimethyl-5-sulfophenyl)ammonium dichloride IUPAC Name: (3-azaniumyl-2,4,6-trimethyl-5-sulfophenyl)azanium dichloride Traditional Name: (3-ammonio-2,4,6-trimethyl-5-sulfo-phenyl)ammonium dichloride Formula: C9H16Cl2N2O3S MolecularWeight: 303.20594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[NH3+])C)S(=O)(=O)O)C)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C(=C(C(=C1[NH3+])C)S(=O)(=O)O)C)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C9H14N2O3S.2ClH/c1-4-7(10)5(2)9(15(12,13)14)6(3)8(4)11;;/h10-11H2,1-3H3,(H,12,13,14);2*1H