chloranyl (4-octan-2-ylphenyl) sulfate

Systemtic Name: chloranyl (4-octan-2-ylphenyl) sulfate Openeye Name: chloro [4-(1-methylheptyl)phenyl] sulfate CAS Name: sulfuric acid chloro (4-octan-2-ylphenyl) ester IUPAC Name: chloro (4-octan-2-ylphenyl) sulfate Traditional Name: sulfuric acid chloro [4-(1-methylheptyl)phenyl] ester Formula: C14H21ClO4S MolecularWeight: 320.83214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClO4S/c1-3-4-5-6-7-12(2)13-8-10-14(11-9-13)18-20(16,17)19-15/h8-12H,3-7H2,1-2H3