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

Systemtic Name: 4-[2-[5,5-dimethyl-8-(2-methylpropylsulfanyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-(8-isobutylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-[5,5-dimethyl-8-(2-methylpropylthio)-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[5,5-dimethyl-8-(2-methylpropylsulfanyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[8-(isobutylthio)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C25H26O2S MolecularWeight: 390.53774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CC(C)CSC1=CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C25H26O2S/c1-17(2)16-28-23-13-14-25(3,4)22-12-9-19(15-21(22)23)6-5-18-7-10-20(11-8-18)24(26)27/h7-13,15,17H,14,16H2,1-4H3,(H,26,27)