ethyl hydrogen sulfate; 2-octylphenol

Systemtic Name: ethyl hydrogen sulfate; 2-octylphenol Openeye Name: ethyl hydrogen sulfate; 2-octylphenol CAS Name: 2-octylphenol; sulfuric acid ethyl ester IUPAC Name: ethyl hydrogen sulfate; 2-octylphenol Traditional Name: 2-octylphenol; sulfuric acid ethyl ester Formula: C18H34O9S2 MolecularWeight: 458.58716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1O.CCOS(=O)(=O)O.CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1O.CCOS(=O)(=O)O.CCOS(=O)(=O)O

InChI

InChI=1S/C14H22O.2C2H6O4S/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;2*1-2-6-7(3,4)5/h8-9,11-12,15H,2-7,10H2,1H3;2*2H2,1H3,(H,3,4,5)