[(2S)-4-bromanyl-2-methyl-6-(4-methylphenyl)sulfonyloxy-3,4-dihydrochromen-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S)-4-bromanyl-2-methyl-6-(4-methylphenyl)sulfonyloxy-3,4-dihydrochromen-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S)-4-bromo-2-methyl-6-(p-tolylsulfonyloxy)chroman-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-4-bromo-2-methyl-6-(4-methylphenyl)sulfonyloxy-3,4-dihydro-2H-1-benzopyran-2-yl]methyl ester IUPAC Name: [(2S)-4-bromo-2-methyl-6-(4-methylphenyl)sulfonyloxy-3,4-dihydrochromen-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-4-bromo-2-methyl-6-tosyloxy-chroman-2-yl]methyl ester Formula: C25H25BrO7S2 MolecularWeight: 581.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC(C3=C(O2)C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@]2(CC(C3=C(O2)C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)C)Br)C

InChI

InChI=1S/C25H25BrO7S2/c1-17-4-9-20(10-5-17)34(27,28)31-16-25(3)15-23(26)22-14-19(8-13-24(22)32-25)33-35(29,30)21-11-6-18(2)7-12-21/h4-14,23H,15-16H2,1-3H3/t23?,25-/m0/s1