[(3R,3aS,7aR)-2-oxidanylidene-3a,4,5,7a-tetrahydro-3H-1-benzofuran-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3R,3aS,7aR)-2-oxidanylidene-3a,4,5,7a-tetrahydro-3H-1-benzofuran-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3R,3aS,7aR)-2-oxo-3a,4,5,7a-tetrahydro-3H-benzofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,3aS,7aR)-2-oxo-3a,4,5,7a-tetrahydro-3H-benzofuran-3-yl] ester IUPAC Name: [(3R,3aS,7aR)-2-oxo-3a,4,5,7a-tetrahydro-3H-1-benzofuran-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,3aS,7aR)-2-keto-3a,4,5,7a-tetrahydro-3H-benzofuran-3-yl] ester Formula: C15H16O5S MolecularWeight: 308.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CCC=CC3OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]3CCC=C[C@H]3OC2=O

InChI

InChI=1S/C15H16O5S/c1-10-6-8-11(9-7-10)21(17,18)20-14-12-4-2-3-5-13(12)19-15(14)16/h3,5-9,12-14H,2,4H2,1H3/t12-,13+,14+/m0/s1