2-[4-(acetyloxymethyl)-2-nitro-phenyl]sulfanyl-5-iodanyl-benzoic acid

Systemtic Name: 2-[4-(acetyloxymethyl)-2-nitro-phenyl]sulfanyl-5-iodanyl-benzoic acid Openeye Name: 2-[4-(acetoxymethyl)-2-nitro-phenyl]sulfanyl-5-iodo-benzoic acid CAS Name: 2-[[4-(acetyloxymethyl)-2-nitrophenyl]thio]-5-iodobenzoic acid IUPAC Name: 2-[4-(acetyloxymethyl)-2-nitrophenyl]sulfanyl-5-iodobenzoic acid Traditional Name: 2-[[4-(acetoxymethyl)-2-nitro-phenyl]thio]-5-iodo-benzoic acid Formula: C16H12INO6S MolecularWeight: 473.23905

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(=C(C=C1)SC2=C(C=C(C=C2)I)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=CC(=C(C=C1)SC2=C(C=C(C=C2)I)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12INO6S/c1-9(19)24-8-10-2-4-15(13(6-10)18(22)23)25-14-5-3-11(17)7-12(14)16(20)21/h2-7H,8H2,1H3,(H,20,21)