2-[(4-ethoxycarbonyl-2-nitro-phenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(4-ethoxycarbonyl-2-nitro-phenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(4-ethoxycarbonyl-2-nitro-phenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(4-ethoxycarbonyl-2-nitrophenyl)methylthio]benzoic acid IUPAC Name: 2-[(4-ethoxycarbonyl-2-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-carbethoxy-2-nitro-benzyl)thio]benzoic acid Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)CSC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)CSC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6S/c1-2-24-17(21)11-7-8-12(14(9-11)18(22)23)10-25-15-6-4-3-5-13(15)16(19)20/h3-9H,2,10H2,1H3,(H,19,20)