2-[4-(dimethylamino)-3,5-di(propan-2-yl)phenyl]sulfanylhexanoic acid

Systemtic Name: 2-[4-(dimethylamino)-3,5-di(propan-2-yl)phenyl]sulfanylhexanoic acid Openeye Name: 2-[4-(dimethylamino)-3,5-diisopropyl-phenyl]sulfanylhexanoic acid CAS Name: 2-[[4-(dimethylamino)-3,5-di(propan-2-yl)phenyl]thio]hexanoic acid IUPAC Name: 2-[4-(dimethylamino)-3,5-di(propan-2-yl)phenyl]sulfanylhexanoic acid Traditional Name: 2-[[4-(dimethylamino)-3,5-diisopropyl-phenyl]thio]hexanoic acid Formula: C20H33NO2S MolecularWeight: 351.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=CC(=C(C(=C1)C(C)C)N(C)C)C(C)C

Isomeric SMILES

CCCCC(C(=O)O)SC1=CC(=C(C(=C1)C(C)C)N(C)C)C(C)C

InChI

InChI=1S/C20H33NO2S/c1-8-9-10-18(20(22)23)24-15-11-16(13(2)3)19(21(6)7)17(12-15)14(4)5/h11-14,18H,8-10H2,1-7H3,(H,22,23)