4-methylbenzenesulfonate; triethyl(2-hydroxyethyl)azanium; 3,4,5-trimethoxybenzoate

Systemtic Name: 4-methylbenzenesulfonate; triethyl(2-hydroxyethyl)azanium; 3,4,5-trimethoxybenzoate Openeye Name: 4-methylbenzenesulfonate; triethyl(2-hydroxyethyl)ammonium; 3,4,5-trimethoxybenzoate CAS Name: 4-methylbenzenesulfonate; triethyl(2-hydroxyethyl)ammonium; 3,4,5-trimethoxybenzoate IUPAC Name: 4-methylbenzenesulfonate; triethyl(2-hydroxyethyl)azanium; 3,4,5-trimethoxybenzoate Traditional Name: triethyl(2-hydroxyethyl)ammonium; 3,4,5-trimethoxybenzoate; tosylate Formula: C25H38NO9S- MolecularWeight: 528.63552

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCO.CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC(=CC(=C1OC)OC)C(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)CCO.CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC(=CC(=C1OC)OC)C(=O)[O-]

InChI

InChI=1S/C10H12O5.C8H20NO.C7H8O3S/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;1-4-9(5-2,6-3)7-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H,1-3H3,(H,11,12);10H,4-8H2,1-3H3;2-5H,1H3,(H,8,9,10)/q;+1;/p-2