4-methylbenzenesulfonate; triethyl(4-sulfobutyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; triethyl(4-sulfobutyl)azanium Openeye Name: 4-methylbenzenesulfonate; triethyl(4-sulfobutyl)ammonium CAS Name: 4-methylbenzenesulfonate; triethyl(4-sulfobutyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; triethyl(4-sulfobutyl)azanium Traditional Name: triethyl(4-sulfobutyl)ammonium tosylate Formula: C17H31NO6S2 MolecularWeight: 409.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCCS(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)CCCCS(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H23NO3S.C7H8O3S/c1-4-11(5-2,6-3)9-7-8-10-15(12,13)14;1-6-2-4-7(5-3-6)11(8,9)10/h4-10H2,1-3H3;2-5H,1H3,(H,8,9,10)