ethyl 4-[2-[8-(3-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[8-(3-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[8-(3-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[8-(3-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[8-(3-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-[8-(3-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C31H30O2 MolecularWeight: 434.5687

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)OCC)(C)C

Isomeric SMILES

CCC1=CC=CC(=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)OCC)(C)C

InChI

InChI=1S/C31H30O2/c1-5-22-8-7-9-26(20-22)27-18-19-31(3,4)29-17-14-24(21-28(27)29)11-10-23-12-15-25(16-13-23)30(32)33-6-2/h7-9,12-18,20-21H,5-6,19H2,1-4H3