3-(3-bromophenyl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(3-bromophenyl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(3-bromophenyl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(3-bromophenyl)propyl ester IUPAC Name: 3-(3-bromophenyl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(3-bromophenyl)propyl ester Formula: C16H17BrO3S MolecularWeight: 369.27338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H17BrO3S/c1-13-7-9-16(10-8-13)21(18,19)20-11-3-5-14-4-2-6-15(17)12-14/h2,4,6-10,12H,3,5,11H2,1H3