3-[(5R,6R,11S,12E)-11-oxidanyl-12-[(2,4,6-trimethylphenyl)methylidene]-4,7-dioxadispiro[4.0.4^{6}.4^{5}]tetradecan-11-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(5R,6R,11S,12E)-11-oxidanyl-12-[(2,4,6-trimethylphenyl)methylidene]-4,7-dioxadispiro[4.0.4^{6}.4^{5}]tetradecan-11-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[(5R,6R,11S,12E)-11-hydroxy-12-[(2,4,6-trimethylphenyl)methylene]-4,7-dioxadispiro[4.0.4^{6}.4^{5}]tetradecan-11-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[(5R,6R,11S,12E)-11-hydroxy-12-[(2,4,6-trimethylphenyl)methylidene]-4,7-dioxadispiro[4.0.4^{6}.4^{5}]tetradecan-11-yl]propyl ester IUPAC Name: 3-[(5R,6R,11S,12E)-11-hydroxy-12-[(2,4,6-trimethylphenyl)methylidene]-4,7-dioxadispiro[4.0.4^{6}.4^{5}]tetradecan-11-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[(5R,6R,11S,12E)-11-hydroxy-12-(2,4,6-trimethylbenzylidene)-4,7-dioxadispiro[4.0.4^{6}.4^{5}]tetradecan-11-yl]propyl ester Formula: C32H42O6S MolecularWeight: 554.73728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2(C(=CC3=C(C=C(C=C3C)C)C)CCC4(C25CCCO5)CCCO4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC[C@@]2(/C(=C/C3=C(C=C(C=C3C)C)C)/CC[C@]4([C@@]25CCCO5)CCCO4)O

InChI

InChI=1S/C32H42O6S/c1-23-8-10-28(11-9-23)39(34,35)38-19-6-14-31(33)27(22-29-25(3)20-24(2)21-26(29)4)12-16-30(13-5-17-36-30)32(31)15-7-18-37-32/h8-11,20-22,33H,5-7,12-19H2,1-4H3/b27-22+/t30-,31-,32-/m0/s1