[(6R,7R,11R)-11-methoxy-3-oxidanylidene-spiro[5.5]undec-4-en-7-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(6R,7R,11R)-11-methoxy-3-oxidanylidene-spiro[5.5]undec-4-en-7-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(6R,7R,11R)-11-methoxy-3-oxo-spiro[5.5]undec-4-en-7-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(6R,7R,11R)-11-methoxy-3-oxo-7-spiro[5.5]undec-4-enyl]methyl ester IUPAC Name: [(6R,7R,11R)-11-methoxy-3-oxospiro[5.5]undec-4-en-7-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(6R,7R,11R)-3-keto-11-methoxy-spiro[5.5]undec-4-en-7-yl]methyl ester Formula: C20H26O5S MolecularWeight: 378.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC(C23CCC(=O)C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CCC[C@H]([C@@]23CCC(=O)C=C3)OC

InChI

InChI=1S/C20H26O5S/c1-15-6-8-18(9-7-15)26(22,23)25-14-16-4-3-5-19(24-2)20(16)12-10-17(21)11-13-20/h6-10,12,16,19H,3-5,11,13-14H2,1-2H3/t16-,19+,20-/m0/s1