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

Systemtic Name: 2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl ester Formula: C29H26O2 MolecularWeight: 406.51554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CCC(C3=C2C=C(C=C3)C#COC(=O)C4=CC=CC=C4)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CCC(C3=C2C=C(C=C3)C#COC(=O)C4=CC=CC=C4)(C)C)C

InChI

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