4-acetyloxy-3,5-bis(iodanyl)benzoic acid; adamantane

Systemtic Name: 4-acetyloxy-3,5-bis(iodanyl)benzoic acid; adamantane Openeye Name: 4-acetoxy-3,5-diiodo-benzoic acid; adamantane CAS Name: 4-acetyloxy-3,5-diiodobenzoic acid; adamantane IUPAC Name: 4-acetyloxy-3,5-diiodobenzoic acid; adamantane Traditional Name: 4-acetoxy-3,5-diiodo-benzoic acid; adamantane Formula: C19H22I2O4 MolecularWeight: 568.18452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1I)C(=O)O)I.C1C2CC3CC1CC(C2)C3

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1I)C(=O)O)I.C1C2CC3CC1CC(C2)C3

InChI

InChI=1S/C10H16.C9H6I2O4/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4(12)15-8-6(10)2-5(9(13)14)3-7(8)11/h7-10H,1-6H2;2-3H,1H3,(H,13,14)