(2-nitro-4-phenylmethoxy-phenyl)methanethiol

Systemtic Name: (2-nitro-4-phenylmethoxy-phenyl)methanethiol Openeye Name: (4-benzyloxy-2-nitro-phenyl)methanethiol CAS Name: (2-nitro-4-phenylmethoxyphenyl)methanethiol IUPAC Name: (2-nitro-4-phenylmethoxyphenyl)methanethiol Traditional Name: (4-benzoxy-2-nitro-phenyl)methanethiol Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2)CS)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)CS)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO3S/c16-15(17)14-8-13(7-6-12(14)10-19)18-9-11-4-2-1-3-5-11/h1-8,19H,9-10H2