[(5S,9R)-1-oxa-4-thiaspiro[4.5]decan-9-yl] 2,4-dinitrobenzoate

Systemtic Name: [(5S,9R)-1-oxa-4-thiaspiro[4.5]decan-9-yl] 2,4-dinitrobenzoate Openeye Name: [(5S,9R)-1-oxa-4-thiaspiro[4.5]decan-9-yl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [(5S,9R)-1-oxa-4-thiaspiro[4.5]decan-9-yl] ester IUPAC Name: [(5S,9R)-1-oxa-4-thiaspiro[4.5]decan-9-yl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [(5S,9R)-1-oxa-4-thiaspiro[4.5]decan-9-yl] ester Formula: C15H16N2O7S MolecularWeight: 368.36174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)OCCS2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](C[C@@]2(C1)OCCS2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O7S/c18-14(12-4-3-10(16(19)20)8-13(12)17(21)22)24-11-2-1-5-15(9-11)23-6-7-25-15/h3-4,8,11H,1-2,5-7,9H2/t11-,15+/m1/s1