4-methylbenzenesulfonate; triethyl-[2-(3,4,5-trimethoxyphenyl)carbonyloxyethyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; triethyl-[2-(3,4,5-trimethoxyphenyl)carbonyloxyethyl]azanium Openeye Name: 4-methylbenzenesulfonate; triethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]ammonium CAS Name: 4-methylbenzenesulfonate; triethyl-[2-[oxo-(3,4,5-trimethoxyphenyl)methoxy]ethyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; triethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium Traditional Name: triethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]ammonium tosylate Formula: C25H37NO8S MolecularWeight: 511.62818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30NO5.C7H8O3S/c1-7-19(8-2,9-3)10-11-24-18(20)14-12-15(21-4)17(23-6)16(13-14)22-5;1-6-2-4-7(5-3-6)11(8,9)10/h12-13H,7-11H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1