4-[2-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid

Systemtic Name: 4-[2-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid Openeye Name: 4-[2-sulfanyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]butanoic acid CAS Name: 4-[2-mercapto-4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid IUPAC Name: 4-[2-sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid Traditional Name: 4-[2-mercapto-4-(1,1,3,3-tetramethylbutyl)phenoxy]butyric acid Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)O)S

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)O)S

InChI

InChI=1S/C18H28O3S/c1-17(2,3)12-18(4,5)13-8-9-14(15(22)11-13)21-10-6-7-16(19)20/h8-9,11,22H,6-7,10,12H2,1-5H3,(H,19,20)