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[(2S)-4-(1,3-dithian-2-yl)butan-2-yl] 3,5-dinitrobenzoate

[(2S)-4-(1,3-dithian-2-yl)butan-2-yl] 3,5-dinitrobenzoate

Systemtic Name:[(2S)-4-(1,3-dithian-2-yl)butan-2-yl] 3,5-dinitrobenzoate
Openeye Name:[(1S)-3-(1,3-dithian-2-yl)-1-methyl-propyl] 3,5-dinitrobenzoate
CAS Name:3,5-dinitrobenzoic acid [(2S)-4-(1,3-dithian-2-yl)butan-2-yl] ester
IUPAC Name:[(2S)-4-(1,3-dithian-2-yl)butan-2-yl] 3,5-dinitrobenzoate
Traditional Name:3,5-dinitrobenzoic acid [(1S)-3-(1,3-dithian-2-yl)-1-methyl-propyl] ester
Formula: C15H18N2O6S2
MolecularWeight: 386.44322
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1SCCCS1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C[C@@H](CCC1SCCCS1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C15H18N2O6S2/c1-10(3-4-14-24-5-2-6-25-14)23-15(18)11-7-12(16(19)20)9-13(8-11)17(21)22/h7-10,14H,2-6H2,1H3/t10-/m0/s1


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