(1-deuterio-2-phenyl-ethyl) 4-methylbenzenesulfonate

Systemtic Name: (1-deuterio-2-phenyl-ethyl) 4-methylbenzenesulfonate Openeye Name: (1-deuterio-2-phenyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-deuterio-2-phenylethyl) ester IUPAC Name: (1-deuterio-2-phenylethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-deuterio-2-phenyl-ethyl) ester Formula: C15H16O3S MolecularWeight: 277.356902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2

Isomeric SMILES

[2H]C(CC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H16O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/i12D