4-nitro-3-(4-nitro-3-phenylmethoxy-phenyl)sulfanyl-benzoic acid

Systemtic Name: 4-nitro-3-(4-nitro-3-phenylmethoxy-phenyl)sulfanyl-benzoic acid Openeye Name: 3-(3-benzyloxy-4-nitro-phenyl)sulfanyl-4-nitro-benzoic acid CAS Name: 4-nitro-3-[(4-nitro-3-phenylmethoxyphenyl)thio]benzoic acid IUPAC Name: 4-nitro-3-(4-nitro-3-phenylmethoxyphenyl)sulfanylbenzoic acid Traditional Name: 3-[(3-benzoxy-4-nitro-phenyl)thio]-4-nitro-benzoic acid Formula: C20H14N2O7S MolecularWeight: 426.39936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)SC3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)SC3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O7S/c23-20(24)14-6-8-17(22(27)28)19(10-14)30-15-7-9-16(21(25)26)18(11-15)29-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,24)