2-(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalen-2-yl)ethynyl benzoate

Systemtic Name: 2-(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalen-2-yl)ethynyl benzoate Openeye Name: 2-[5,5-dimethyl-8-(2-thienyl)-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalen-2-yl)ethynyl ester IUPAC Name: 2-(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalen-2-yl)ethynyl benzoate Traditional Name: benzoic acid 2-[5,5-dimethyl-8-(2-thienyl)-6H-naphthalen-2-yl]ethynyl ester Formula: C25H20O2S MolecularWeight: 384.4901

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=CC=CS4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=CC=CS4)C

InChI

InChI=1S/C25H20O2S/c1-25(2)14-12-20(23-9-6-16-28-23)21-17-18(10-11-22(21)25)13-15-27-24(26)19-7-4-3-5-8-19/h3-12,16-17H,14H2,1-2H3