(2-octadecan-2-yl-4-oxidanyl-phenyl) hydrogen sulfate

Systemtic Name: (2-octadecan-2-yl-4-oxidanyl-phenyl) hydrogen sulfate Openeye Name: [4-hydroxy-2-(1-methylheptadecyl)phenyl] hydrogen sulfate CAS Name: sulfuric acid (4-hydroxy-2-octadecan-2-ylphenyl) ester IUPAC Name: (4-hydroxy-2-octadecan-2-ylphenyl) hydrogen sulfate Traditional Name: sulfuric acid [4-hydroxy-2-(1-methylheptadecyl)phenyl] ester Formula: C24H42O5S MolecularWeight: 442.65228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C1=C(C=CC(=C1)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C1=C(C=CC(=C1)O)OS(=O)(=O)O

InChI

InChI=1S/C24H42O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2)23-20-22(25)18-19-24(23)29-30(26,27)28/h18-21,25H,3-17H2,1-2H3,(H,26,27,28)