[7-(2-phenylethynyl)naphthalen-2-yl] 4-iodanylbenzoate

Systemtic Name: [7-(2-phenylethynyl)naphthalen-2-yl] 4-iodanylbenzoate Openeye Name: [7-(2-phenylethynyl)-2-naphthyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [7-(2-phenylethynyl)-2-naphthalenyl] ester IUPAC Name: [7-(2-phenylethynyl)naphthalen-2-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [7-(2-phenylethynyl)-2-naphthyl] ester Formula: C25H15IO2 MolecularWeight: 474.28987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=CC(=C3)OC(=O)C4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=CC(=C3)OC(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C25H15IO2/c26-23-13-10-21(11-14-23)25(27)28-24-15-12-20-9-8-19(16-22(20)17-24)7-6-18-4-2-1-3-5-18/h1-5,8-17H