4-[2-[[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]sulfanyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]sulfanyl]ethynyl]benzoic acid Openeye Name: 4-[2-[[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]sulfanyl]ethynyl]benzoic acid CAS Name: 4-[2-[[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]thio]ethynyl]benzoic acid IUPAC Name: 4-[2-[[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]sulfanyl]ethynyl]benzoic acid Traditional Name: 4-[2-[[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]thio]ethynyl]benzoic acid Formula: C28H24O2S MolecularWeight: 424.55396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)SC#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)SC#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C28H24O2S/c1-19-4-8-21(9-5-19)24-14-16-28(2,3)26-18-23(12-13-25(24)26)31-17-15-20-6-10-22(11-7-20)27(29)30/h4-14,18H,16H2,1-3H3,(H,29,30)