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

Systemtic Name: 2-chloranyl-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid Openeye Name: 2-chloro-4-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanyl-benzoic acid CAS Name: 2-chloro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)thio]benzoic acid IUPAC Name: 2-chloro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid Traditional Name: 2-chloro-4-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]benzoic acid Formula: C22H25ClO2S MolecularWeight: 388.9507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=CC(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=CC(=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C22H25ClO2S/c1-13-10-16-17(22(4,5)9-8-21(16,2)3)12-19(13)26-14-6-7-15(20(24)25)18(23)11-14/h6-7,10-12H,8-9H2,1-5H3,(H,24,25)