4-[2-(5,5-dimethyl-8-pent-1-ynyl-6H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(5,5-dimethyl-8-pent-1-ynyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(5,5-dimethyl-8-pent-1-ynyl-6H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-(5,5-dimethyl-8-pent-1-ynyl-6H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(5,5-dimethyl-8-pent-1-ynyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(5,5-dimethyl-8-pent-1-ynyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C26H24O2 MolecularWeight: 368.46756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CCCC#CC1=CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C26H24O2/c1-4-5-6-7-21-16-17-26(2,3)24-15-12-20(18-23(21)24)9-8-19-10-13-22(14-11-19)25(27)28/h10-16,18H,4-5,17H2,1-3H3,(H,27,28)