5-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)pentanoate

Systemtic Name: 5-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)pentanoate Openeye Name: 5-(6-acetyl-2-propyl-3-sulfanyl-phenoxy)pentanoate CAS Name: 5-(6-acetyl-3-mercapto-2-propylphenoxy)pentanoate IUPAC Name: 5-(6-acetyl-2-propyl-3-sulfanylphenoxy)pentanoate Traditional Name: 5-(6-acetyl-3-mercapto-2-propyl-phenoxy)valerate Formula: C16H21O4S- MolecularWeight: 309.40054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCCC(=O)[O-])C(=O)C)S

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCCC(=O)[O-])C(=O)C)S

InChI

InChI=1S/C16H22O4S/c1-3-6-13-14(21)9-8-12(11(2)17)16(13)20-10-5-4-7-15(18)19/h8-9,21H,3-7,10H2,1-2H3,(H,18,19)/p-1