2-ethanoyl-3-[(3-iodanyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]benzoic acid

Systemtic Name: 2-ethanoyl-3-[(3-iodanyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]benzoic acid Openeye Name: 2-acetyl-3-(7-iodo-1,1,4,4-tetramethyl-tetralin-6-yl)oxy-benzoic acid CAS Name: 2-acetyl-3-[(3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]benzoic acid IUPAC Name: 2-acetyl-3-[(3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]benzoic acid Traditional Name: 2-acetyl-3-(7-iodo-1,1,4,4-tetramethyl-tetralin-6-yl)oxy-benzoic acid Formula: C23H25IO4 MolecularWeight: 492.34667

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1OC2=C(C=C3C(=C2)C(CCC3(C)C)(C)C)I)C(=O)O

Isomeric SMILES

CC(=O)C1=C(C=CC=C1OC2=C(C=C3C(=C2)C(CCC3(C)C)(C)C)I)C(=O)O

InChI

InChI=1S/C23H25IO4/c1-13(25)20-14(21(26)27)7-6-8-18(20)28-19-12-16-15(11-17(19)24)22(2,3)9-10-23(16,4)5/h6-8,11-12H,9-10H2,1-5H3,(H,26,27)