4-[2-oxidanyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-hydroxy-2-(1,1,4,4-tetramethyltetralin-6-yl)ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl]thio]benzoic acid IUPAC Name: 4-[2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-hydroxy-2-(1,1,4,4-tetramethyltetralin-6-yl)ethyl]thio]benzoic acid Formula: C23H28O3S MolecularWeight: 384.53162

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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)O)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28O3S/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13,20,24H,11-12,14H2,1-4H3,(H,25,26)