methyl (2S,3S)-2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: methyl (2S,3S)-2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: methyl (2S,3S)-2-[4-(p-tolylsulfonyloxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2S,3S)-2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2S,3S)-2-(4-tosyloxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid methyl ester Formula: C23H20O7S MolecularWeight: 440.4657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3C(OC4=CC=CC=C4O3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[C@H]3[C@H](OC4=CC=CC=C4O3)C(=O)OC

InChI

InChI=1S/C23H20O7S/c1-15-7-13-18(14-8-15)31(25,26)30-17-11-9-16(10-12-17)21-22(23(24)27-2)29-20-6-4-3-5-19(20)28-21/h3-14,21-22H,1-2H3/t21-,22-/m0/s1