S-[(E)-1-phenylsulfanylundec-5-enyl] ethanethioate

Systemtic Name: S-[(E)-1-phenylsulfanylundec-5-enyl] ethanethioate Openeye Name: S-[(E)-1-phenylsulfanylundec-5-enyl] ethanethioate CAS Name: ethanethioic acid S-[(E)-1-(phenylthio)undec-5-enyl] ester IUPAC Name: S-[(E)-1-phenylsulfanylundec-5-enyl] ethanethioate Traditional Name: ethanethioic acid S-[(E)-1-(phenylthio)undec-5-enyl] ester Formula: C19H28OS2 MolecularWeight: 336.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCCCC(SC1=CC=CC=C1)SC(=O)C

Isomeric SMILES

CCCCC/C=C/CCCC(SC1=CC=CC=C1)SC(=O)C

InChI

InChI=1S/C19H28OS2/c1-3-4-5-6-7-8-9-13-16-19(21-17(2)20)22-18-14-11-10-12-15-18/h7-8,10-12,14-15,19H,3-6,9,13,16H2,1-2H3/b8-7+