Se-[(1Z)-1-butylsulfanyl-3-methyl-penta-1,4-dienyl] benzenecarboselenoate

Systemtic Name: Se-[(1Z)-1-butylsulfanyl-3-methyl-penta-1,4-dienyl] benzenecarboselenoate Openeye Name: Se-[(1Z)-1-butylsulfanyl-3-methyl-penta-1,4-dienyl] benzenecarboselenoate CAS Name: benzenecarboselenoic acid Se-[(1Z)-1-(butylthio)-3-methylpenta-1,4-dienyl] ester IUPAC Name: Se-[(1Z)-1-butylsulfanyl-3-methylpenta-1,4-dienyl] benzenecarboselenoate Traditional Name: selenobenzoic acid Se-[(1Z)-1-(butylthio)-3-methyl-penta-1,4-dienyl] ester Formula: C17H22OSSe MolecularWeight: 353.38098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=CC(C)C=C)[Se]C(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCS/C(=C/C(C)C=C)/[Se]C(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H22OSSe/c1-4-6-12-19-16(13-14(3)5-2)20-17(18)15-10-8-7-9-11-15/h5,7-11,13-14H,2,4,6,12H2,1,3H3/b16-13-