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

Systemtic Name: 2-[5,5-dimethyl-8-(3-methylphenyl)-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[5,5-dimethyl-8-(m-tolyl)-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[5,5-dimethyl-8-(3-methylphenyl)-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[5,5-dimethyl-8-(3-methylphenyl)-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-[5,5-dimethyl-8-(m-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(=C1)C2=CCC(C3=C2C=C(C=C3)C#COC(=O)C4=CC=CC=C4)(C)C

Isomeric SMILES

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

InChI

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