7-cyclopentylidenehept-5-ynyl 4-methylbenzenesulfonate

Systemtic Name: 7-cyclopentylidenehept-5-ynyl 4-methylbenzenesulfonate Openeye Name: 7-cyclopentylidenehept-5-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 7-cyclopentylidenehept-5-ynyl ester IUPAC Name: 7-cyclopentylidenehept-5-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 7-cyclopentylidenehept-5-ynyl ester Formula: C19H24O3S MolecularWeight: 332.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC#CC=C2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC#CC=C2CCCC2

InChI

InChI=1S/C19H24O3S/c1-17-12-14-19(15-13-17)23(20,21)22-16-8-4-2-3-5-9-18-10-6-7-11-18/h9,12-15H,2,4,6-8,10-11,16H2,1H3