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

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

Systemtic Name:(5-methyl-1-sulfooxy-henicosan-4-yl) hydrogen sulfate
Openeye Name:(5-methyl-4-sulfooxy-henicosyl) hydrogen sulfate
CAS Name:sulfuric acid (5-methyl-1-sulfooxyheneicosan-4-yl) ester
IUPAC Name:(5-methyl-1-sulfooxyhenicosan-4-yl) hydrogen sulfate
Traditional Name:sulfuric acid (5-methyl-4-sulfoxy-heneicosyl) ester
Formula: C22H46O8S2
MolecularWeight: 502.72584
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C(CCCOS(=O)(=O)O)OS(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C(CCCOS(=O)(=O)O)OS(=O)(=O)O


InChI

InChI=1S/C22H46O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(2)22(30-32(26,27)28)19-17-20-29-31(23,24)25/h21-22H,3-20H2,1-2H3,(H,23,24,25)(H,26,27,28)


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