2-[(3-iodanylphenyl)methylsulfanyl]-5-nitro-benzoic acid

Systemtic Name: 2-[(3-iodanylphenyl)methylsulfanyl]-5-nitro-benzoic acid Openeye Name: 2-[(3-iodophenyl)methylsulfanyl]-5-nitro-benzoic acid CAS Name: 2-[(3-iodophenyl)methylthio]-5-nitrobenzoic acid IUPAC Name: 2-[(3-iodophenyl)methylsulfanyl]-5-nitrobenzoic acid Traditional Name: 2-[(3-iodobenzyl)thio]-5-nitro-benzoic acid Formula: C14H10INO4S MolecularWeight: 415.20297

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)I)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H10INO4S/c15-10-3-1-2-9(6-10)8-21-13-5-4-11(16(19)20)7-12(13)14(17)18/h1-7H,8H2,(H,17,18)