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

Systemtic Name: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylsulfanylcarbonyl]benzoic acid Openeye Name: 4-[(1,1,4,4-tetramethyltetralin-6-yl)methylsulfanylcarbonyl]benzoic acid CAS Name: 4-[oxo-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylthio]methyl]benzoic acid IUPAC Name: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylsulfanylcarbonyl]benzoic acid Traditional Name: 4-[(1,1,4,4-tetramethyltetralin-6-yl)methylthio]carbonylbenzoic acid Formula: C23H26O3S MolecularWeight: 382.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)CSC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)CSC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C23H26O3S/c1-22(2)11-12-23(3,4)19-13-15(5-10-18(19)22)14-27-21(26)17-8-6-16(7-9-17)20(24)25/h5-10,13H,11-12,14H2,1-4H3,(H,24,25)