[(2E)-2-[(4-chlorophenyl)methylidene]-4,4-dimethyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2E)-2-[(4-chlorophenyl)methylidene]-4,4-dimethyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2E)-2-[(4-chlorophenyl)methylene]-4,4-dimethyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2E)-2-[(4-chlorophenyl)methylidene]-4,4-dimethylpentyl] ester IUPAC Name: [(2E)-2-[(4-chlorophenyl)methylidene]-4,4-dimethylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-3-(4-chlorophenyl)-2-neopentyl-allyl] ester Formula: C21H25ClO3S MolecularWeight: 392.9394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC/C(=C/C2=CC=C(C=C2)Cl)/CC(C)(C)C

InChI

InChI=1S/C21H25ClO3S/c1-16-5-11-20(12-6-16)26(23,24)25-15-18(14-21(2,3)4)13-17-7-9-19(22)10-8-17/h5-13H,14-15H2,1-4H3/b18-13+