(4-octan-2-ylphenyl) hydrogen sulfate

Systemtic Name: (4-octan-2-ylphenyl) hydrogen sulfate Openeye Name: [4-(1-methylheptyl)phenyl] hydrogen sulfate CAS Name: sulfuric acid (4-octan-2-ylphenyl) ester IUPAC Name: (4-octan-2-ylphenyl) hydrogen sulfate Traditional Name: sulfuric acid [4-(1-methylheptyl)phenyl] ester Formula: C14H22O4S MolecularWeight: 286.38708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S/c1-3-4-5-6-7-12(2)13-8-10-14(11-9-13)18-19(15,16)17/h8-12H,3-7H2,1-2H3,(H,15,16,17)