ethyl 4-[2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C31H26O2 MolecularWeight: 430.53694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C#CC4=CC=CC=C4)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C#CC4=CC=CC=C4)(C)C

InChI

InChI=1S/C31H26O2/c1-4-33-30(32)27-17-13-24(14-18-27)10-11-25-15-19-29-28(22-25)26(20-21-31(29,2)3)16-12-23-8-6-5-7-9-23/h5-9,13-15,17-20,22H,4,21H2,1-3H3