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3-({5-(Benzyloxy)-3-[(benzyloxy)carbonyl]-2,4-dinitrophenyl}sulfanyl)-4-methyl-2-nitrobenzoic acid

ChemSpider ID: 2841493
Molecular Formula: C₂₉H₂₁N₃O₁₁S
Average mass: 619.555481 Da
Monoisotopic mass: 619.089661 Da
Systematic name

3-({5-(Benzyloxy)-3-[(benzyloxy)carbonyl]-2,4-dinitrophenyl}sulfanyl)-4-methyl-2-nitrobenzoic acid
SMILES and InChIs

SMILES:

[O-][N+](=O)c4c(OCc1ccccc1)cc(Sc2c(c(ccc2C)C(=O)O)[N+]([O-])=O)c([N+]([O-])=O)c4C(=O)OCc3ccccc3 Copied

Std. InChI:

InChI=1S/C29H21N3O11S/c1-17-12-13-20(28(33)34)24(30(36)37)27(17)44-22-14-21(42-15-18-8-4-2-5-9-18)25(31(38)39)23(26(22)32(40)41)29(35)43-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,33,34) Copied

Std. InChIKey:

PYLMTPPBNRNGGP-UHFFFAOYSA-N Copied
Cite this record
CSID:2841493, http://www.chemspider.com/Chemical-Structure.2841493.html (accessed 07:19, May 21, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

3-{2,4-dinitro-5-(phenylmethoxy)-3-[benzyloxycarbonyl]phenylthio}-4-methyl-2-nitrobenzoic acid

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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