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

Systemtic Name: 2-[5,5-dimethyl-8-(2-methylphenyl)-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[5,5-dimethyl-8-(o-tolyl)-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[5,5-dimethyl-8-(2-methylphenyl)-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[5,5-dimethyl-8-(2-methylphenyl)-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-[5,5-dimethyl-8-(o-tolyl)-6H-naphthalen-2-yl]ethynyl ester Formula: C28H24O2 MolecularWeight: 392.48896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CCC(C3=C2C=C(C=C3)C#COC(=O)C4=CC=CC=C4)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=CCC(C3=C2C=C(C=C3)C#COC(=O)C4=CC=CC=C4)(C)C

InChI

InChI=1S/C28H24O2/c1-20-9-7-8-12-23(20)24-15-17-28(2,3)26-14-13-21(19-25(24)26)16-18-30-27(29)22-10-5-4-6-11-22/h4-15,19H,17H2,1-3H3