2-(5-nonyl-2-oxidanyl-phenyl)ethyl hydrogen sulfate

Systemtic Name: 2-(5-nonyl-2-oxidanyl-phenyl)ethyl hydrogen sulfate Openeye Name: 2-(2-hydroxy-5-nonyl-phenyl)ethyl hydrogen sulfate CAS Name: sulfuric acid 2-(2-hydroxy-5-nonylphenyl)ethyl ester IUPAC Name: 2-(2-hydroxy-5-nonylphenyl)ethyl hydrogen sulfate Traditional Name: sulfuric acid 2-(2-hydroxy-5-nonyl-phenyl)ethyl ester Formula: C17H28O5S MolecularWeight: 344.46622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)O)CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)O)CCOS(=O)(=O)O

InChI

InChI=1S/C17H28O5S/c1-2-3-4-5-6-7-8-9-15-10-11-17(18)16(14-15)12-13-22-23(19,20)21/h10-11,14,18H,2-9,12-13H2,1H3,(H,19,20,21)