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

Systemtic Name: 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid Openeye Name: 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]vinyl]benzoic acid CAS Name: 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid Traditional Name: 4-[1-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]vinyl]benzoic acid Formula: C29H24O2 MolecularWeight: 404.49966

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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)O)C#CC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C29H24O2/c1-20(22-11-13-24(14-12-22)28(30)31)25-15-16-27-26(19-25)23(17-18-29(27,2)3)10-9-21-7-5-4-6-8-21/h4-8,11-17,19H,1,18H2,2-3H3,(H,30,31)