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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(=O)SCC3=CC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(=O)SCC3=CC=C(C=C3)C(=O)O)(C)C)C

InChI

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