octyl sulfate; 2-(2-propoxyethoxy)ethyl 2-(3-methyl-1H-imidazol-3-ium-2-yl)ethanoate

Systemtic Name: octyl sulfate; 2-(2-propoxyethoxy)ethyl 2-(3-methyl-1H-imidazol-3-ium-2-yl)ethanoate Openeye Name: octyl sulfate; 2-(2-propoxyethoxy)ethyl 2-(3-methyl-1H-imidazol-3-ium-2-yl)acetate CAS Name: 2-(3-methyl-1H-imidazol-3-ium-2-yl)acetic acid 2-(2-propoxyethoxy)ethyl ester; octyl sulfate IUPAC Name: octyl sulfate; 2-(2-propoxyethoxy)ethyl 2-(3-methyl-1H-imidazol-3-ium-2-yl)acetate Traditional Name: 2-(3-methyl-1H-imidazol-3-ium-2-yl)acetic acid 2-(2-propoxyethoxy)ethyl ester; octyl sulfate Formula: C21H40N2O8S MolecularWeight: 480.6159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)[O-].CCCOCCOCCOC(=O)CC1=[N+](C=CN1)C

Isomeric SMILES

CCCCCCCCOS(=O)(=O)[O-].CCCOCCOCCOC(=O)CC1=[N+](C=CN1)C

InChI

InChI=1S/C13H22N2O4.C8H18O4S/c1-3-6-17-7-8-18-9-10-19-13(16)11-12-14-4-5-15(12)2;1-2-3-4-5-6-7-8-12-13(9,10)11/h4-5H,3,6-11H2,1-2H3;2-8H2,1H3,(H,9,10,11)