[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C21H21IO3 MolecularWeight: 448.29411

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C21H21IO3/c22-19-8-4-7-18(13-19)21(24)25-14-20(23)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14H2