[(2R,6R)-8-oxidanylidene-5,11-dithiaspiro[5.5]undecan-2-yl] 4-nitrobenzoate

Systemtic Name: [(2R,6R)-8-oxidanylidene-5,11-dithiaspiro[5.5]undecan-2-yl] 4-nitrobenzoate Openeye Name: [(2R,6R)-8-oxo-5,11-dithiaspiro[5.5]undecan-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,6R)-8-oxo-5,11-dithiaspiro[5.5]undecan-2-yl] ester IUPAC Name: [(2R,6R)-8-oxo-5,11-dithiaspiro[5.5]undecan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,6R)-8-keto-5,11-dithiaspiro[5.5]undecan-2-yl] ester Formula: C16H17NO5S2 MolecularWeight: 367.43988

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2(CC1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)CCS2

Isomeric SMILES

C1CS[C@@]2(C[C@@H]1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)CCS2

InChI

InChI=1S/C16H17NO5S2/c18-13-5-7-23-16(9-13)10-14(6-8-24-16)22-15(19)11-1-3-12(4-2-11)17(20)21/h1-4,14H,5-10H2/t14-,16-/m1/s1