O1-butyl O5-prop-2-enyl 2-sulfanylpentanedioate

Systemtic Name: O1-butyl O5-prop-2-enyl 2-sulfanylpentanedioate Openeye Name: O5-allyl O1-butyl 2-sulfanylpentanedioate CAS Name: 2-mercaptopentanedioic acid O1-butyl ester O5-prop-2-enyl ester IUPAC Name: 1-O-butyl 5-O-prop-2-enyl 2-sulfanylpentanedioate Traditional Name: 2-mercaptoglutaric acid O5-allyl ester O1-butyl ester Formula: C12H20O4S MolecularWeight: 260.3498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC(=O)OCC=C)S

Isomeric SMILES

CCCCOC(=O)C(CCC(=O)OCC=C)S

InChI

InChI=1S/C12H20O4S/c1-3-5-9-16-12(14)10(17)6-7-11(13)15-8-4-2/h4,10,17H,2-3,5-9H2,1H3