1,3-bis(6-methylheptoxy)propan-2-yl hydrogen sulfate

Systemtic Name: 1,3-bis(6-methylheptoxy)propan-2-yl hydrogen sulfate Openeye Name: [2-(6-methylheptoxy)-1-(6-methylheptoxymethyl)ethyl] hydrogen sulfate CAS Name: sulfuric acid 1,3-bis(6-methylheptoxy)propan-2-yl ester IUPAC Name: 1,3-bis(6-methylheptoxy)propan-2-yl hydrogen sulfate Traditional Name: sulfuric acid [2-(6-methylheptoxy)-1-(6-methylheptoxymethyl)ethyl] ester Formula: C19H40O6S MolecularWeight: 396.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOCC(COCCCCCC(C)C)OS(=O)(=O)O

Isomeric SMILES

CC(C)CCCCCOCC(COCCCCCC(C)C)OS(=O)(=O)O

InChI

InChI=1S/C19H40O6S/c1-17(2)11-7-5-9-13-23-15-19(25-26(20,21)22)16-24-14-10-6-8-12-18(3)4/h17-19H,5-16H2,1-4H3,(H,20,21,22)