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

Systemtic Name: 3-methyl-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid Openeye Name: 3-methyl-4-(1,1,4,4-tetramethyltetralin-6-yl)sulfanyl-benzoic acid CAS Name: 3-methyl-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thio]benzoic acid IUPAC Name: 3-methyl-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid Traditional Name: 3-methyl-4-[(1,1,4,4-tetramethyltetralin-6-yl)thio]benzoic acid Formula: C22H26O2S MolecularWeight: 354.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)SC2=CC3=C(C=C2)C(CCC3(C)C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)SC2=CC3=C(C=C2)C(CCC3(C)C)(C)C

InChI

InChI=1S/C22H26O2S/c1-14-12-15(20(23)24)6-9-19(14)25-16-7-8-17-18(13-16)22(4,5)11-10-21(17,2)3/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)