4-[2-(5,5-dimethyl-8-pentan-3-ylidene-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(5,5-dimethyl-8-pentan-3-ylidene-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-[4-(1-ethylpropylidene)-1,1-dimethyl-tetralin-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-(5,5-dimethyl-8-pentan-3-ylidene-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(5,5-dimethyl-8-pentan-3-ylidene-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-[4-(1-ethylpropylidene)-1,1-dimethyl-tetralin-6-yl]ethynyl]benzoic acid Formula: C26H28O2 MolecularWeight: 372.49932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C)CC

Isomeric SMILES

CCC(=C1CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C)CC

InChI

InChI=1S/C26H28O2/c1-5-20(6-2)22-15-16-26(3,4)24-14-11-19(17-23(22)24)8-7-18-9-12-21(13-10-18)25(27)28/h9-14,17H,5-6,15-16H2,1-4H3,(H,27,28)