7-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)heptanoic acid

Systemtic Name: 7-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)heptanoic acid Openeye Name: 7-(6-acetyl-2-propyl-3-sulfanyl-phenoxy)heptanoic acid CAS Name: 7-(6-acetyl-3-mercapto-2-propylphenoxy)heptanoic acid IUPAC Name: 7-(6-acetyl-2-propyl-3-sulfanylphenoxy)heptanoic acid Traditional Name: 7-(6-acetyl-3-mercapto-2-propyl-phenoxy)enanthic acid Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCCCCC(=O)O)C(=O)C)S

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCCCCC(=O)O)C(=O)C)S

InChI

InChI=1S/C18H26O4S/c1-3-8-15-16(23)11-10-14(13(2)19)18(15)22-12-7-5-4-6-9-17(20)21/h10-11,23H,3-9,12H2,1-2H3,(H,20,21)