[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1[C@@H](OC2=CC=CC=C2O1)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H18O5S/c1-12-7-9-14(10-8-12)23(18,19)20-11-17-13(2)21-15-5-3-4-6-16(15)22-17/h3-10,13,17H,11H2,1-2H3/t13-,17-/m0/s1