4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)sulfinyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)sulfinyl]ethynyl]benzoic acid Openeye Name: 4-[2-(1,1,4,4-tetramethyltetralin-5-yl)sulfinylethynyl]benzoic acid CAS Name: 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)sulfinyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)sulfinyl]ethynyl]benzoic acid Traditional Name: 4-[2-(1,1,4,4-tetramethyltetralin-5-yl)sulfinylethynyl]benzoic acid Formula: C23H24O3S MolecularWeight: 380.49986

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC=C2S(=O)C#CC3=CC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC=C2S(=O)C#CC3=CC=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C23H24O3S/c1-22(2)13-14-23(3,4)20-18(22)6-5-7-19(20)27(26)15-12-16-8-10-17(11-9-16)21(24)25/h5-11H,13-14H2,1-4H3,(H,24,25)