(2-methyl-4-phenyl-hexyl) hydrogen sulfate

Systemtic Name: (2-methyl-4-phenyl-hexyl) hydrogen sulfate Openeye Name: (2-methyl-4-phenyl-hexyl) hydrogen sulfate CAS Name: sulfuric acid (2-methyl-4-phenylhexyl) ester IUPAC Name: (2-methyl-4-phenylhexyl) hydrogen sulfate Traditional Name: sulfuric acid (2-methyl-4-phenyl-hexyl) ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)COS(=O)(=O)O)C1=CC=CC=C1

Isomeric SMILES

CCC(CC(C)COS(=O)(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C13H20O4S/c1-3-12(13-7-5-4-6-8-13)9-11(2)10-17-18(14,15)16/h4-8,11-12H,3,9-10H2,1-2H3,(H,14,15,16)