ethyl 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-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(=CCC3(C)C)C#CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=CCC3(C)C)C#CC4=CC=CC=C4

InChI

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