Benzoic acid 5-(7-methoxybenzo[1,3]dioxol-5-yl)-6-methoxycarbonylamino-2,2-dioxohexahydro-2.lammda.6-benzo[1,3,2]dioxathio-4-yl ester

SpectraBase Compound ID	3W86ae1EcWi
InChI	InChI=1S/C23H23NO11S/c1-29-15-8-13(9-16-19(15)32-11-31-16)18-14(24-23(26)30-2)10-17-20(35-36(27,28)34-17)21(18)33-22(25)12-6-4-3-5-7-12/h3-9,14,17-18,20-21H,10-11H2,1-2H3,(H,24,26)/t14-,17+,18+,20+,21+/m0/s1
InChIKey	GMRURSAIWRENKY-LLKJBZILSA-N Google Search
Mol Weight	521.49 g/mol
Molecular Formula	C23H23NO11S
Exact Mass	521.099182 g/mol

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SpectraBase Spectrum ID	4aj4ItiHltf
Name	Benzoic acid 5-(7-methoxybenzo[1,3]dioxol-5-yl)-6-methoxycarbonylamino-2,2-dioxohexahydro-2.lammda.6-benzo[1,3,2]dioxathio-4-yl ester
Alternate Name(s)	benzoic acid [(3aS,4R,5R,6S,7aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-6-(methoxycarbonylamino)-2,2-dioxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiol-4-yl] ester [(3aS,4R,5R,6S,7aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-6-(methoxycarbonylamino)-2,2-dioxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiol-4-yl] benzoate [(3aS,4R,5R,6S,7aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-6-(methoxycarbonylamino)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiol-4-yl] benzoate
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Formula	C23H23NO11S
InChI	InChI=1S/C23H23NO11S/c1-29-15-8-13(9-16-19(15)32-11-31-16)18-14(24-23(26)30-2)10-17-20(35-36(27,28)34-17)21(18)33-22(25)12-6-4-3-5-7-12/h3-9,14,17-18,20-21H,10-11H2,1-2H3,(H,24,26)/t14-,17+,18+,20+,21+/m0/s1
InChIKey	GMRURSAIWRENKY-LLKJBZILSA-N
Molecular Weight	521.493 g/mol
SMILES	N([C@]1(C[C@]2(OS(O[C@]2([C@@]([C@@]1(c1cc2OCOc2c(c1)OC)[H])(OC(=O)c1ccccc1)[H])[H])(=O)=O)[H])[H])C(=O)OC
SPLASH	splash10-0bt9-0910000000-52e95ade3b7edeb70031
Source of Spectrum	F-69-119-39
Wiley ID	1594437