6-nitro-8-(phenylsulfanylmethyl)-4H-1,3-benzodioxine

Systemtic Name: 6-nitro-8-(phenylsulfanylmethyl)-4H-1,3-benzodioxine Openeye Name: 6-nitro-8-(phenylsulfanylmethyl)-4H-1,3-benzodioxine CAS Name: 6-nitro-8-[(phenylthio)methyl]-4H-1,3-benzodioxin IUPAC Name: 6-nitro-8-(phenylsulfanylmethyl)-4H-1,3-benzodioxine Traditional Name: 6-nitro-8-[(phenylthio)methyl]-4H-1,3-benzodioxin Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3)[N+](=O)[O-]

InChI

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