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

Systemtic Name: 4-[2-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[5,5-dimethyl-8-(5-methyl-2-thienyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[5,5-dimethyl-8-(5-methyl-2-thiophenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[5,5-dimethyl-8-(5-methyl-2-thienyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C26H22O2S MolecularWeight: 398.51668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(S1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C26H22O2S/c1-17-4-13-24(29-17)21-14-15-26(2,3)23-12-9-19(16-22(21)23)6-5-18-7-10-20(11-8-18)25(27)28/h4,7-14,16H,15H2,1-3H3,(H,27,28)