6-bromanylhexyl 4-methylbenzenesulfonate

Systemtic Name: 6-bromanylhexyl 4-methylbenzenesulfonate Openeye Name: 6-bromohexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-bromohexyl ester IUPAC Name: 6-bromohexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-bromohexyl ester Formula: C13H19BrO3S MolecularWeight: 335.25716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCBr

InChI

InChI=1S/C13H19BrO3S/c1-12-6-8-13(9-7-12)18(15,16)17-11-5-3-2-4-10-14/h6-9H,2-5,10-11H2,1H3