(3-oxidanyl-1-oxidanylidene-2,4-dihydrothiochromen-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanyl-1-oxidanylidene-2,4-dihydrothiochromen-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-1-oxo-2,4-dihydrothiochromen-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-1-oxo-2,4-dihydro-1-benzothiopyran-3-yl)methyl ester IUPAC Name: (3-hydroxy-1-oxo-2,4-dihydrothiochromen-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-1-keto-2,4-dihydrothiochromen-3-yl)methyl ester Formula: C17H18O5S2 MolecularWeight: 366.45182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC3=CC=CC=C3S(=O)C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC3=CC=CC=C3S(=O)C2)O

InChI

InChI=1S/C17H18O5S2/c1-13-6-8-15(9-7-13)24(20,21)22-11-17(18)10-14-4-2-3-5-16(14)23(19)12-17/h2-9,18H,10-12H2,1H3