Tricyclo[4.4.0.0(4,9)]decane-2,8-diol, bis(4-methylbenzenesulfonate)

SpectraBase Compound ID	5znqAJmttLJ
InChI	InChI=1S/C24H28O6S2/c1-15-3-7-19(8-4-15)31(25,26)29-23-12-17-11-18-13-24(22(17)14-21(18)23)30-32(27,28)20-9-5-16(2)6-10-20/h3-10,17-18,21-24H,11-14H2,1-2H3/t17-,18-,21+,22+,23-,24-/m0/s1
InChIKey	PDCLQQGYVAKITM-DNDBYCEMSA-N Google Search
Mol Weight	476.6 g/mol
Molecular Formula	C24H28O6S2
Exact Mass	476.132731 g/mol

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SpectraBase Spectrum ID	AEGgT24H3sC
Name	Tricyclo[4.4.0.0(4,9)]decane-2,8-diol, bis(4-methylbenzenesulfonate)
Alternate Name(s)	1-Benzenesulfonic acid)-4-methyl,10-{[(4-methyl-phenyl)sulfonyl]oxy}thayclo[4.4.0.0(3,8)]dec-4-yl ester 10-{[dihydroxy(4-methylphenyl)-.lambda.(4)-sulfanyl]oxy}tricyclo[4.4.0.0(3,8)]dec-4-yl 4-methylbenzenesulfonate 10-{[dihydroxy(4-methylphenyl)-lambda(4)-sulfanyl]oxy}tricyclo[4.4.0.0(3,8)]dec-4-yl 4-methylbenzenesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H28O6S2
InChI	InChI=1S/C24H28O6S2/c1-15-3-7-19(8-4-15)31(25,26)29-23-12-17-11-18-13-24(22(17)14-21(18)23)30-32(27,28)20-9-5-16(2)6-10-20/h3-10,17-18,21-24H,11-14H2,1-2H3/t17-,18-,21+,22+,23-,24-/m0/s1
InChIKey	PDCLQQGYVAKITM-DNDBYCEMSA-N
Molecular Weight	476.602 g/mol
SMILES	[C@]1(OS(c2ccc(cc2)C)(=O)=O)([C@]2([C@@]3(C[C@@]([C@@]([C@](C1)(C3)[H])(C2)[H])(OS(c1ccc(cc1)C)(=O)=O)[H])[H])[H])[H]
SPLASH	splash10-000x-9501000000-e115cacb1ec3c69b5102
Wiley ID	1486507