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

Systemtic Name: 4-[2-[5,5-dimethyl-8-(phenylmethylsulfanyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-(8-benzylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-[5,5-dimethyl-8-(phenylmethylthio)-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-(8-benzylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-[8-(benzylthio)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C28H24O2S MolecularWeight: 424.55396

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)SCC4=CC=CC=C4)C

InChI

InChI=1S/C28H24O2S/c1-28(2)17-16-26(31-19-22-6-4-3-5-7-22)24-18-21(12-15-25(24)28)9-8-20-10-13-23(14-11-20)27(29)30/h3-7,10-16,18H,17,19H2,1-2H3,(H,29,30)