(5-methyl-1-sulfooxy-pentadecan-4-yl) hydrogen sulfate

Systemtic Name: (5-methyl-1-sulfooxy-pentadecan-4-yl) hydrogen sulfate Openeye Name: (5-methyl-4-sulfooxy-pentadecyl) hydrogen sulfate CAS Name: sulfuric acid (5-methyl-1-sulfooxypentadecan-4-yl) ester IUPAC Name: (5-methyl-1-sulfooxypentadecan-4-yl) hydrogen sulfate Traditional Name: sulfuric acid (5-methyl-4-sulfoxy-pentadecyl) ester Formula: C16H34O8S2 MolecularWeight: 418.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)C(CCCOS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC(C)C(CCCOS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C16H34O8S2/c1-3-4-5-6-7-8-9-10-12-15(2)16(24-26(20,21)22)13-11-14-23-25(17,18)19/h15-16H,3-14H2,1-2H3,(H,17,18,19)(H,20,21,22)