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

Systemtic Name: 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)ethanoic acid Openeye Name: 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)acetic acid CAS Name: 2-[4-(heptylthio)-2,5-dimethoxyphenyl]acetic acid IUPAC Name: 2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)acetic acid Traditional Name: 2-[4-(heptylthio)-2,5-dimethoxy-phenyl]acetic acid Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C=C(C(=C1)OC)CC(=O)O)OC

Isomeric SMILES

CCCCCCCSC1=C(C=C(C(=C1)OC)CC(=O)O)OC

InChI

InChI=1S/C17H26O4S/c1-4-5-6-7-8-9-22-16-12-14(20-2)13(11-17(18)19)10-15(16)21-3/h10,12H,4-9,11H2,1-3H3,(H,18,19)