6-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)hexanoate

Systemtic Name: 6-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)hexanoate Openeye Name: 6-(6-acetyl-2-propyl-3-sulfanyl-phenoxy)hexanoate CAS Name: 6-(6-acetyl-3-mercapto-2-propylphenoxy)hexanoate IUPAC Name: 6-(6-acetyl-2-propyl-3-sulfanylphenoxy)hexanoate Traditional Name: 6-(6-acetyl-3-mercapto-2-propyl-phenoxy)hexanoate Formula: C17H23O4S- MolecularWeight: 323.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCCCC(=O)[O-])C(=O)C)S

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCCCC(=O)[O-])C(=O)C)S

InChI

InChI=1S/C17H24O4S/c1-3-7-14-15(22)10-9-13(12(2)18)17(14)21-11-6-4-5-8-16(19)20/h9-10,22H,3-8,11H2,1-2H3,(H,19,20)/p-1