6-sulfooxyhexadecan-7-yl hydrogen sulfate

Systemtic Name: 6-sulfooxyhexadecan-7-yl hydrogen sulfate Openeye Name: (1-pentyl-2-sulfooxy-undecyl) hydrogen sulfate CAS Name: sulfuric acid 6-sulfooxyhexadecan-7-yl ester IUPAC Name: 6-sulfooxyhexadecan-7-yl hydrogen sulfate Traditional Name: sulfuric acid (1-amyl-2-sulfoxy-undecyl) ester Formula: C16H34O8S2 MolecularWeight: 418.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(CCCCC)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(C(CCCCC)OS(=O)(=O)O)OS(=O)(=O)O

InChI

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