bis(2-hydroxyethyl)-(2-oxidanylethylidene)azanium; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonate

Systemtic Name: bis(2-hydroxyethyl)-(2-oxidanylethylidene)azanium; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonate Openeye Name: bis(2-hydroxyethyl)-(2-hydroxyethylidene)ammonium; 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonate CAS Name: bis(2-hydroxyethyl)-(2-hydroxyethylidene)ammonium; 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonate IUPAC Name: bis(2-hydroxyethyl)-(2-hydroxyethylidene)azanium; 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonate Traditional Name: bis(2-hydroxyethyl)-(2-hydroxyethylidene)ammonium; 4-hydroxy-5-isopropyl-2-methyl-besylate Formula: C16H27NO7S MolecularWeight: 377.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)[O-])C(C)C)O.C(CO)[N+](=CCO)CCO

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)[O-])C(C)C)O.C(CO)[N+](=CCO)CCO

InChI

InChI=1S/C10H14O4S.C6H14NO3/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;8-4-1-7(2-5-9)3-6-10/h4-6,11H,1-3H3,(H,12,13,14);1,8-10H,2-6H2/q;+1/p-1