4,6-dinitro-3-phenylmethoxy-1,2-benzothiazole

Systemtic Name: 4,6-dinitro-3-phenylmethoxy-1,2-benzothiazole Openeye Name: 3-benzyloxy-4,6-dinitro-1,2-benzothiazole CAS Name: 4,6-dinitro-3-phenylmethoxy-1,2-benzothiazole IUPAC Name: 4,6-dinitro-3-phenylmethoxy-1,2-benzothiazole Traditional Name: 3-benzoxy-4,6-dinitro-1,2-benzothiazole Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NSC3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=NSC3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O5S/c18-16(19)10-6-11(17(20)21)13-12(7-10)23-15-14(13)22-8-9-4-2-1-3-5-9/h1-7H,8H2