2-[2-(5-ethylsulfonyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 2-[2-(5-ethylsulfonyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 2-[2-(5-ethylsulfonyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 2-[2-(5-ethylsulfonyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 2-[2-(5-ethylsulfonyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 2-[2-(5-esyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CCC(C2=C1C=CC(=C2)C#CC3=CC=CC=C3C(=O)O)(C)C

Isomeric SMILES

CCS(=O)(=O)C1=CCC(C2=C1C=CC(=C2)C#CC3=CC=CC=C3C(=O)O)(C)C

InChI

InChI=1S/C23H22O4S/c1-4-28(26,27)21-13-14-23(2,3)20-15-16(10-12-19(20)21)9-11-17-7-5-6-8-18(17)22(24)25/h5-8,10,12-13,15H,4,14H2,1-3H3,(H,24,25)