O5-butyl O1-prop-2-enyl 2,2-dimethyl-4-sulfanyl-pentanedioate

Systemtic Name: O5-butyl O1-prop-2-enyl 2,2-dimethyl-4-sulfanyl-pentanedioate Openeye Name: O1-allyl O5-butyl 2,2-dimethyl-4-sulfanyl-pentanedioate CAS Name: 4-mercapto-2,2-dimethylpentanedioic acid O5-butyl ester O1-prop-2-enyl ester IUPAC Name: 5-O-butyl 1-O-prop-2-enyl 2,2-dimethyl-4-sulfanylpentanedioate Traditional Name: 4-mercapto-2,2-dimethyl-glutaric acid O1-allyl ester O5-butyl ester Formula: C14H24O4S MolecularWeight: 288.40296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24O4S/c1-5-7-9-17-12(15)11(19)10-14(3,4)13(16)18-8-6-2/h6,11,19H,2,5,7-10H2,1,3-4H3