1-sulfooxyoctadecan-9-yl hydrogen sulfate

Systemtic Name: 1-sulfooxyoctadecan-9-yl hydrogen sulfate Openeye Name: 9-sulfooxyoctadecyl hydrogen sulfate CAS Name: sulfuric acid 1-sulfooxyoctadecan-9-yl ester IUPAC Name: 1-sulfooxyoctadecan-9-yl hydrogen sulfate Traditional Name: sulfuric acid 9-sulfoxyoctadecyl ester Formula: C18H38O8S2 MolecularWeight: 446.61952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C18H38O8S2/c1-2-3-4-5-6-9-12-15-18(26-28(22,23)24)16-13-10-7-8-11-14-17-25-27(19,20)21/h18H,2-17H2,1H3,(H,19,20,21)(H,22,23,24)