3-iodanyl-2-[2-(3-nitrophenyl)ethanoyl]-4-oxidanyl-hexanoic acid

Systemtic Name: 3-iodanyl-2-[2-(3-nitrophenyl)ethanoyl]-4-oxidanyl-hexanoic acid Openeye Name: 4-hydroxy-3-iodo-2-[2-(3-nitrophenyl)acetyl]hexanoic acid CAS Name: 4-hydroxy-3-iodo-2-[2-(3-nitrophenyl)-1-oxoethyl]hexanoic acid IUPAC Name: 4-hydroxy-3-iodo-2-[2-(3-nitrophenyl)acetyl]hexanoic acid Traditional Name: 4-hydroxy-3-iodo-2-[2-(3-nitrophenyl)acetyl]hexanoic acid Formula: C14H16INO6 MolecularWeight: 421.18441

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C(=O)CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O)I)O

Isomeric SMILES

CCC(C(C(C(=O)CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O)I)O

InChI

InChI=1S/C14H16INO6/c1-2-10(17)13(15)12(14(19)20)11(18)7-8-4-3-5-9(6-8)16(21)22/h3-6,10,12-13,17H,2,7H2,1H3,(H,19,20)