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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C31H30O2/c1-30(2,3)25-14-12-23(13-15-25)26-17-19-31(4,5)28-16-11-22(21-27(26)28)18-20-33-29(32)24-9-7-6-8-10-24/h6-17,21H,19H2,1-5H3