methyl 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoate

Systemtic Name: methyl 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoate Openeye Name: methyl 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]vinyl]benzoate CAS Name: 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoate Traditional Name: 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]vinyl]benzoic acid methyl ester Formula: C30H26O2 MolecularWeight: 418.52624

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C(=C)C3=CC=C(C=C3)C(=O)OC)C#CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C(=C)C3=CC=C(C=C3)C(=O)OC)C#CC4=CC=CC=C4)C

InChI

InChI=1S/C30H26O2/c1-21(23-12-14-25(15-13-23)29(31)32-4)26-16-17-28-27(20-26)24(18-19-30(28,2)3)11-10-22-8-6-5-7-9-22/h5-9,12-18,20H,1,19H2,2-4H3