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

Systemtic Name: ethyl 4-[2-(8-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(8-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoate CAS Name: 4-[2-(8-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(8-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoate Traditional Name: 4-[2-(8-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid ethyl ester Formula: C27H30O2 MolecularWeight: 386.5259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)OCC)(C)C

Isomeric SMILES

CCCCC1=CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)OCC)(C)C

InChI

InChI=1S/C27H30O2/c1-5-7-8-22-17-18-27(3,4)25-16-13-21(19-24(22)25)10-9-20-11-14-23(15-12-20)26(28)29-6-2/h11-17,19H,5-8,18H2,1-4H3