5-phenylpent-3-ynyl 4-methylbenzenesulfonate

Systemtic Name: 5-phenylpent-3-ynyl 4-methylbenzenesulfonate Openeye Name: 5-phenylpent-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-phenylpent-3-ynyl ester IUPAC Name: 5-phenylpent-3-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-phenylpent-3-ynyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CCC2=CC=CC=C2

InChI

InChI=1S/C18H18O3S/c1-16-11-13-18(14-12-16)22(19,20)21-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,7,10,15H2,1H3