[(2R)-6-chloranyl-7-oxidanyl-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R)-6-chloranyl-7-oxidanyl-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R)-6-chloro-7-hydroxy-chroman-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-6-chloro-7-hydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]methyl ester IUPAC Name: [(2R)-6-chloro-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-6-chloro-7-hydroxy-chroman-2-yl]methyl ester Formula: C17H17ClO5S MolecularWeight: 368.83188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=CC(=C(C=C3O2)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CCC3=CC(=C(C=C3O2)O)Cl

InChI

InChI=1S/C17H17ClO5S/c1-11-2-6-14(7-3-11)24(20,21)22-10-13-5-4-12-8-15(18)16(19)9-17(12)23-13/h2-3,6-9,13,19H,4-5,10H2,1H3/t13-/m1/s1