6-[4-acetyloxy-3-(1-iodanyl-2-adamantyl)phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[4-acetyloxy-3-(1-iodanyl-2-adamantyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[4-acetoxy-3-(1-iodo-2-adamantyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[4-acetyloxy-3-(1-iodo-2-adamantyl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[4-acetyloxy-3-(1-iodo-2-adamantyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[4-acetoxy-3-(1-iodo-2-adamantyl)phenyl]-2-naphthoic acid Formula: C29H27IO4 MolecularWeight: 566.42675

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C4C5CC6CC(C5)CC4(C6)I

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C4C5CC6CC(C5)CC4(C6)I

InChI

InChI=1S/C29H27IO4/c1-16(31)34-26-7-6-22(20-2-3-21-12-23(28(32)33)5-4-19(21)11-20)13-25(26)27-24-9-17-8-18(10-24)15-29(27,30)14-17/h2-7,11-13,17-18,24,27H,8-10,14-15H2,1H3,(H,32,33)