(6-chloranyl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-chloranyl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (6-chloro-7-methoxy-chroman-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-chloro-7-methoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl ester IUPAC Name: (6-chloro-7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-chloro-7-methoxy-chroman-2-yl)methyl ester Formula: C18H19ClO5S MolecularWeight: 382.85846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClO5S/c1-12-3-7-15(8-4-12)25(20,21)23-11-14-6-5-13-9-16(19)18(22-2)10-17(13)24-14/h3-4,7-10,14H,5-6,11H2,1-2H3