6-[(3-nitrophenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 6-[(3-nitrophenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine Openeye Name: 6-[(3-nitrophenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine CAS Name: 6-[(3-nitrophenyl)methylthio]-2,3-dihydro-1,4-benzodioxin IUPAC Name: 6-[(3-nitrophenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine Traditional Name: 6-[(3-nitrobenzyl)thio]-2,3-dihydro-1,4-benzodioxin Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO4S/c17-16(18)12-3-1-2-11(8-12)10-21-13-4-5-14-15(9-13)20-7-6-19-14/h1-5,8-9H,6-7,10H2