[(7R,9R,10S)-9-azido-7-oxidanyl-1,4-dithiaspiro[4.5]decan-10-yl] benzoate

Systemtic Name: [(7R,9R,10S)-9-azido-7-oxidanyl-1,4-dithiaspiro[4.5]decan-10-yl] benzoate Openeye Name: [(7R,9R,10S)-9-azido-7-hydroxy-1,4-dithiaspiro[4.5]decan-10-yl] benzoate CAS Name: benzoic acid [(7R,9R,10S)-9-azido-7-hydroxy-1,4-dithiaspiro[4.5]decan-10-yl] ester IUPAC Name: [(7R,9R,10S)-9-azido-7-hydroxy-1,4-dithiaspiro[4.5]decan-10-yl] benzoate Traditional Name: benzoic acid [(7R,9R,10S)-9-azido-7-hydroxy-1,4-dithiaspiro[4.5]decan-10-yl] ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2(S1)CC(CC(C2OC(=O)C3=CC=CC=C3)N=[N+]=[N-])O

Isomeric SMILES

C1CSC2(S1)C[C@@H](C[C@H]([C@@H]2OC(=O)C3=CC=CC=C3)N=[N+]=[N-])O

InChI

InChI=1S/C15H17N3O3S2/c16-18-17-12-8-11(19)9-15(22-6-7-23-15)13(12)21-14(20)10-4-2-1-3-5-10/h1-5,11-13,19H,6-9H2/t11-,12-,13+/m1/s1