4-[2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[8-(4-methoxyphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C28H24O3 MolecularWeight: 408.48836

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C28H24O3/c1-28(2)17-16-24(21-11-13-23(31-3)14-12-21)25-18-20(8-15-26(25)28)5-4-19-6-9-22(10-7-19)27(29)30/h6-16,18H,17H2,1-3H3,(H,29,30)