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

Systemtic Name: 6-[(3-butyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid Openeye Name: 6-(7-butyl-1,1,4,4-tetramethyl-tetralin-6-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 6-[(3-butyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[(3-butyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid Traditional Name: 6-[(7-butyl-1,1,4,4-tetramethyl-tetralin-6-yl)thio]nicotinic acid Formula: C24H31NO2S MolecularWeight: 397.57344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H31NO2S/c1-6-7-8-16-13-18-19(24(4,5)12-11-23(18,2)3)14-20(16)28-21-10-9-17(15-25-21)22(26)27/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,26,27)