3-(3,5-ditert-butylphenyl)-3-oxidanyl-2-sulfanyl-propanoic acid

Systemtic Name: 3-(3,5-ditert-butylphenyl)-3-oxidanyl-2-sulfanyl-propanoic acid Openeye Name: 3-(3,5-ditert-butylphenyl)-3-hydroxy-2-sulfanyl-propanoic acid CAS Name: 3-(3,5-ditert-butylphenyl)-3-hydroxy-2-mercaptopropanoic acid IUPAC Name: 3-(3,5-ditert-butylphenyl)-3-hydroxy-2-sulfanylpropanoic acid Traditional Name: 3-(3,5-ditert-butylphenyl)-3-hydroxy-2-mercapto-propionic acid Formula: C17H26O3S MolecularWeight: 310.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O3S/c1-16(2,3)11-7-10(13(18)14(21)15(19)20)8-12(9-11)17(4,5)6/h7-9,13-14,18,21H,1-6H3,(H,19,20)