sodium 3,9-diethyltridecan-6-yl hydrogen sulfate

Systemtic Name: sodium 3,9-diethyltridecan-6-yl hydrogen sulfate Openeye Name: sodium [4-ethyl-1-(3-ethylpentyl)octyl] hydrogen sulfate CAS Name: sodium sulfuric acid 3,9-diethyltridecan-6-yl ester IUPAC Name: sodium 3,9-diethyltridecan-6-yl hydrogen sulfate Traditional Name: sodium sulfuric acid [4-ethyl-1-(3-ethylpentyl)octyl] ester Formula: C17H36NaO4S+ MolecularWeight: 359.52011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC(CCC(CC)CC)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCC(CC)CCC(CCC(CC)CC)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C17H36O4S.Na/c1-5-9-10-16(8-4)12-14-17(21-22(18,19)20)13-11-15(6-2)7-3;/h15-17H,5-14H2,1-4H3,(H,18,19,20);/q;+1