9-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)nonanoate

Systemtic Name: 9-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)nonanoate Openeye Name: 9-(6-acetyl-2-propyl-3-sulfanyl-phenoxy)nonanoate CAS Name: 9-(6-acetyl-3-mercapto-2-propylphenoxy)nonanoate IUPAC Name: 9-(6-acetyl-2-propyl-3-sulfanylphenoxy)nonanoate Traditional Name: 9-(6-acetyl-3-mercapto-2-propyl-phenoxy)pelargonate Formula: C20H29O4S- MolecularWeight: 365.50686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCCCCCCC(=O)[O-])C(=O)C)S

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCCCCCCC(=O)[O-])C(=O)C)S

InChI

InChI=1S/C20H30O4S/c1-3-10-17-18(25)13-12-16(15(2)21)20(17)24-14-9-7-5-4-6-8-11-19(22)23/h12-13,25H,3-11,14H2,1-2H3,(H,22,23)/p-1