2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethanoic acid

Systemtic Name: 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethanoic acid Openeye Name: 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)acetic acid CAS Name: 2-[2,5-dimethoxy-4-(pentylthio)phenyl]acetic acid IUPAC Name: 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)acetic acid Traditional Name: 2-[4-(amylthio)-2,5-dimethoxy-phenyl]acetic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=C1)OC)CC(=O)O)OC

Isomeric SMILES

CCCCCSC1=C(C=C(C(=C1)OC)CC(=O)O)OC

InChI

InChI=1S/C15H22O4S/c1-4-5-6-7-20-14-10-12(18-2)11(9-15(16)17)8-13(14)19-3/h8,10H,4-7,9H2,1-3H3,(H,16,17)