5-(4-chlorophenyl)pent-4-ynyl 4-methylbenzenesulfonate

Systemtic Name: 5-(4-chlorophenyl)pent-4-ynyl 4-methylbenzenesulfonate Openeye Name: 5-(4-chlorophenyl)pent-4-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-(4-chlorophenyl)pent-4-ynyl ester IUPAC Name: 5-(4-chlorophenyl)pent-4-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-(4-chlorophenyl)pent-4-ynyl ester Formula: C18H17ClO3S MolecularWeight: 348.84378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC#CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC#CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClO3S/c1-15-6-12-18(13-7-15)23(20,21)22-14-4-2-3-5-16-8-10-17(19)11-9-16/h6-13H,2,4,14H2,1H3