3-(2,5-dimethoxy-4-methyl-phenyl)propyl hydrogen sulfate

Systemtic Name: 3-(2,5-dimethoxy-4-methyl-phenyl)propyl hydrogen sulfate Openeye Name: 3-(2,5-dimethoxy-4-methyl-phenyl)propyl hydrogen sulfate CAS Name: sulfuric acid 3-(2,5-dimethoxy-4-methylphenyl)propyl ester IUPAC Name: 3-(2,5-dimethoxy-4-methylphenyl)propyl hydrogen sulfate Traditional Name: sulfuric acid 3-(2,5-dimethoxy-4-methyl-phenyl)propyl ester Formula: C12H18O6S MolecularWeight: 290.33272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)CCCOS(=O)(=O)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1OC)CCCOS(=O)(=O)O)OC

InChI

InChI=1S/C12H18O6S/c1-9-7-12(17-3)10(8-11(9)16-2)5-4-6-18-19(13,14)15/h7-8H,4-6H2,1-3H3,(H,13,14,15)