5-[2-nitro-1-(phenylmethylsulfanyl)ethyl]-1,3-benzodioxole

Systemtic Name: 5-[2-nitro-1-(phenylmethylsulfanyl)ethyl]-1,3-benzodioxole Openeye Name: 5-(1-benzylsulfanyl-2-nitro-ethyl)-1,3-benzodioxole CAS Name: 5-[2-nitro-1-(phenylmethylthio)ethyl]-1,3-benzodioxole IUPAC Name: 5-(1-benzylsulfanyl-2-nitroethyl)-1,3-benzodioxole Traditional Name: 5-[1-(benzylthio)-2-nitro-ethyl]-1,3-benzodioxole Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C16H15NO4S/c18-17(19)9-16(22-10-12-4-2-1-3-5-12)13-6-7-14-15(8-13)21-11-20-14/h1-8,16H,9-11H2