3-nitro-5-(phenylmethyl)sulfinyl-benzoic acid

Systemtic Name: 3-nitro-5-(phenylmethyl)sulfinyl-benzoic acid Openeye Name: 3-benzylsulfinyl-5-nitro-benzoic acid CAS Name: 3-nitro-5-(phenylmethyl)sulfinylbenzoic acid IUPAC Name: 3-benzylsulfinyl-5-nitrobenzoic acid Traditional Name: 3-benzylsulfinyl-5-nitro-benzoic acid Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO5S/c16-14(17)11-6-12(15(18)19)8-13(7-11)21(20)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)