3-(phenylmethylsulfanyl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(phenylmethylsulfanyl)propyl 4-methylbenzenesulfonate Openeye Name: 3-benzylsulfanylpropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(phenylmethylthio)propyl ester IUPAC Name: 3-benzylsulfanylpropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(benzylthio)propyl ester Formula: C17H20O3S2 MolecularWeight: 336.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCSCC2=CC=CC=C2

InChI

InChI=1S/C17H20O3S2/c1-15-8-10-17(11-9-15)22(18,19)20-12-5-13-21-14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3