4-[1-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid

Systemtic Name: 4-[1-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid Openeye Name: 4-[1-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid CAS Name: 4-[1-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[1-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid Traditional Name: 4-[1-[8-(3,3-dimethylbut-1-ynyl)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid Formula: C27H28O2 MolecularWeight: 384.51002

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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#CC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28O2/c1-18(19-7-9-21(10-8-19)25(28)29)22-11-12-24-23(17-22)20(13-15-26(2,3)4)14-16-27(24,5)6/h7-12,14,17H,1,16H2,2-6H3,(H,28,29)