5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 5-(2-benzyl-4-nitro-phenoxy)sulfonyl-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 5-(2-benzyl-4-nitrophenoxy)sulfonyl-2-hydroxybenzoic acid Traditional Name: 5-(2-benzyl-4-nitro-phenoxy)sulfonyl-2-hydroxy-benzoic acid Formula: C20H15NO8S MolecularWeight: 429.4

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C20H15NO8S/c22-18-8-7-16(12-17(18)20(23)24)30(27,28)29-19-9-6-15(21(25)26)11-14(19)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2,(H,23,24)