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

Systemtic Name: ethyl 4-[2-(8-ethylsulfonyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(8-ethylsulfonyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoate CAS Name: 4-[2-(8-ethylsulfonyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(8-ethylsulfonyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoate Traditional Name: 4-[2-(8-esyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid ethyl ester Formula: C25H26O4S MolecularWeight: 422.53654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3S(=O)(=O)CC)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3S(=O)(=O)CC)(C)C

InChI

InChI=1S/C25H26O4S/c1-5-29-24(26)20-12-9-18(10-13-20)7-8-19-11-14-22-21(17-19)23(30(27,28)6-2)15-16-25(22,3)4/h9-15,17H,5-6,16H2,1-4H3