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

Systemtic Name: 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid Openeye Name: 6-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid Traditional Name: 6-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]nicotinic acid Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)