7-chloranylhept-3-ynyl 4-methylbenzenesulfonate

Systemtic Name: 7-chloranylhept-3-ynyl 4-methylbenzenesulfonate Openeye Name: 7-chlorohept-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 7-chlorohept-3-ynyl ester IUPAC Name: 7-chlorohept-3-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 7-chlorohept-3-ynyl ester Formula: C14H17ClO3S MolecularWeight: 300.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CCCCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CCCCCl

InChI

InChI=1S/C14H17ClO3S/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h7-10H,3,5-6,11-12H2,1H3