6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine Openeye Name: 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine CAS Name: 6-[(2-methoxy-5-nitrophenyl)methylthio]-2,3-dihydro-1,4-benzodioxin IUPAC Name: 6-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine Traditional Name: 6-[(2-methoxy-5-nitro-benzyl)thio]-2,3-dihydro-1,4-benzodioxin Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H15NO5S/c1-20-14-4-2-12(17(18)19)8-11(14)10-23-13-3-5-15-16(9-13)22-7-6-21-15/h2-5,8-9H,6-7,10H2,1H3