4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynylsulfanyl]benzoic acid

Systemtic Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynylsulfanyl]benzoic acid Openeye Name: 4-[2-(1,1,4,4-tetramethyltetralin-6-yl)ethynylsulfanyl]benzoic acid CAS Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynylthio]benzoic acid IUPAC Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynylsulfanyl]benzoic acid Traditional Name: 4-[2-(1,1,4,4-tetramethyltetralin-6-yl)ethynylthio]benzoic acid Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C#CSC3=CC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C#CSC3=CC=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C23H24O2S/c1-22(2)12-13-23(3,4)20-15-16(5-10-19(20)22)11-14-26-18-8-6-17(7-9-18)21(24)25/h5-10,15H,12-13H2,1-4H3,(H,24,25)