[(3S,4R)-4-deuterio-3,4-dihydro-2H-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,4R)-4-deuterio-3,4-dihydro-2H-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S,4R)-4-deuteriochroman-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,4R)-4-deuterio-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(3S,4R)-4-deuterio-3,4-dihydro-2H-chromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,4R)-4-deuteriochroman-3-yl] ester Formula: C16H16O4S MolecularWeight: 305.367002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3=CC=CC=C3OC2

Isomeric SMILES

[H][C@@]1([C@@H](COC2=CC=CC=C21)OS(=O)(=O)C3=CC=C(C=C3)C)[2H]

InChI

InChI=1S/C16H16O4S/c1-12-6-8-15(9-7-12)21(17,18)20-14-10-13-4-2-3-5-16(13)19-11-14/h2-9,14H,10-11H2,1H3/t14-/m0/s1/i10D/t10-,14+/m1