S-[(E)-2-butyl-2-methanoyl-hex-4-enyl] ethanethioate

Systemtic Name: S-[(E)-2-butyl-2-methanoyl-hex-4-enyl] ethanethioate Openeye Name: S-[(E)-2-butyl-2-formyl-hex-4-enyl] ethanethioate CAS Name: ethanethioic acid S-[(E)-2-butyl-2-formylhex-4-enyl] ester IUPAC Name: S-[(E)-2-butyl-2-formylhex-4-enyl] ethanethioate Traditional Name: ethanethioic acid S-[(E)-2-butyl-2-formyl-hex-4-enyl] ester Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC=CC)(CSC(=O)C)C=O

Isomeric SMILES

CCCCC(C/C=C/C)(CSC(=O)C)C=O

InChI

InChI=1S/C13H22O2S/c1-4-6-8-13(10-14,9-7-5-2)11-16-12(3)15/h4,6,10H,5,7-9,11H2,1-3H3/b6-4+