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

Systemtic Name: 6-[(3-hexyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 6-(7-hexyl-1,1,4,4-tetramethyl-tetralin-6-carbonyl)sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[(3-hexyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-oxomethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-(3-hexyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[(7-hexyl-1,1,4,4-tetramethyl-tetralin-6-carbonyl)thio]nicotinic acid Formula: C27H35NO3S MolecularWeight: 453.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C(=O)SC3=NC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C(=O)SC3=NC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

InChI

InChI=1S/C27H35NO3S/c1-6-7-8-9-10-18-15-21-22(27(4,5)14-13-26(21,2)3)16-20(18)25(31)32-23-12-11-19(17-28-23)24(29)30/h11-12,15-17H,6-10,13-14H2,1-5H3,(H,29,30)