6-methylsulfonylsulfanylhexyl 4-methylbenzoate

Systemtic Name: 6-methylsulfonylsulfanylhexyl 4-methylbenzoate Openeye Name: 6-methylsulfonylsulfanylhexyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 6-(methylsulfonylthio)hexyl ester IUPAC Name: 6-methylsulfonylsulfanylhexyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 6-(mesylthio)hexyl ester Formula: C15H22O4S2 MolecularWeight: 330.46278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCCCCCSS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCCCCCSS(=O)(=O)C

InChI

InChI=1S/C15H22O4S2/c1-13-7-9-14(10-8-13)15(16)19-11-5-3-4-6-12-20-21(2,17)18/h7-10H,3-6,11-12H2,1-2H3