[(3aR,4R,7S,7aS)-7-oxidanyl-6-oxidanylidene-spiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(3aR,4R,7S,7aS)-7-oxidanyl-6-oxidanylidene-spiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(3aR,4R,7S,7aS)-7-hydroxy-6-oxo-spiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3aR,4R,7S,7aS)-7-hydroxy-6-oxo-4-spiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]yl]methyl ester IUPAC Name: [(3aR,4R,7S,7aS)-7-hydroxy-6-oxospiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3aR,4R,7S,7aS)-7-hydroxy-6-keto-spiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl]methyl ester Formula: C19H24O8S MolecularWeight: 412.45406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(C(=O)O2)O)OC4(O3)CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@H]([C@@H](C(=O)O2)O)OC4(O3)CCCCC4

InChI

InChI=1S/C19H24O8S/c1-12-5-7-13(8-6-12)28(22,23)24-11-14-16-17(15(20)18(21)25-14)27-19(26-16)9-3-2-4-10-19/h5-8,14-17,20H,2-4,9-11H2,1H3/t14-,15+,16-,17+/m1/s1