6-(2-bromophenyl)hex-5-ynyl 4-methylbenzenesulfonate

Systemtic Name: 6-(2-bromophenyl)hex-5-ynyl 4-methylbenzenesulfonate Openeye Name: 6-(2-bromophenyl)hex-5-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-(2-bromophenyl)hex-5-ynyl ester IUPAC Name: 6-(2-bromophenyl)hex-5-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-(2-bromophenyl)hex-5-ynyl ester Formula: C19H19BrO3S MolecularWeight: 407.32136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC#CC2=CC=CC=C2Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC#CC2=CC=CC=C2Br

InChI

InChI=1S/C19H19BrO3S/c1-16-11-13-18(14-12-16)24(21,22)23-15-7-3-2-4-8-17-9-5-6-10-19(17)20/h5-6,9-14H,2-3,7,15H2,1H3