6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid Openeye Name: 6-(1,1,4,4-tetramethyltetralin-6-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid Traditional Name: 6-[(1,1,4,4-tetramethyltetralin-6-yl)thio]nicotinic acid Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)SC3=NC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)SC3=NC=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C20H23NO2S/c1-19(2)9-10-20(3,4)16-11-14(6-7-15(16)19)24-17-8-5-13(12-21-17)18(22)23/h5-8,11-12H,9-10H2,1-4H3,(H,22,23)