5-[(4-nitrophenyl)sulfanylmethyl]-1,3-benzodioxole

Systemtic Name: 5-[(4-nitrophenyl)sulfanylmethyl]-1,3-benzodioxole Openeye Name: 5-[(4-nitrophenyl)sulfanylmethyl]-1,3-benzodioxole CAS Name: 5-[[(4-nitrophenyl)thio]methyl]-1,3-benzodioxole IUPAC Name: 5-[(4-nitrophenyl)sulfanylmethyl]-1,3-benzodioxole Traditional Name: 5-[[(4-nitrophenyl)thio]methyl]-1,3-benzodioxole Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO4S/c16-15(17)11-2-4-12(5-3-11)20-8-10-1-6-13-14(7-10)19-9-18-13/h1-7H,8-9H2