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

Systemtic Name: ethyl 4-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-naphthalen-2-yl]-2-ethynyl-benzoate Openeye Name: ethyl 4-[5,5-dimethyl-8-(5-methyl-2-thienyl)-6H-naphthalen-2-yl]-2-ethynyl-benzoate CAS Name: 4-[5,5-dimethyl-8-(5-methyl-2-thiophenyl)-6H-naphthalen-2-yl]-2-ethynylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-naphthalen-2-yl]-2-ethynylbenzoate Traditional Name: 4-[5,5-dimethyl-8-(5-methyl-2-thienyl)-6H-naphthalen-2-yl]-2-ethynyl-benzoic acid ethyl ester Formula: C28H26O2S MolecularWeight: 426.56984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C(CC=C3C4=CC=C(S4)C)(C)C)C#C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C(CC=C3C4=CC=C(S4)C)(C)C)C#C

InChI

InChI=1S/C28H26O2S/c1-6-19-16-20(9-11-22(19)27(29)30-7-2)21-10-12-25-24(17-21)23(14-15-28(25,4)5)26-13-8-18(3)31-26/h1,8-14,16-17H,7,15H2,2-5H3