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

Systemtic Name: 2-[8-(4-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[8-(4-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[8-(4-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[8-(4-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-[8-(4-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl ester Formula: C29H26O2 MolecularWeight: 406.51554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26O2/c1-4-21-10-13-23(14-11-21)25-16-18-29(2,3)27-15-12-22(20-26(25)27)17-19-31-28(30)24-8-6-5-7-9-24/h5-16,20H,4,18H2,1-3H3