3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoate

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoate Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-sulfanyl-propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-mercaptopropanoate IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-sulfanylpropanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-mercapto-propionate Formula: C17H25O3S- MolecularWeight: 309.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C(=O)[O-])S

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C(=O)[O-])S

InChI

InChI=1S/C17H26O3S/c1-16(2,3)11-7-10(9-13(21)15(19)20)8-12(14(11)18)17(4,5)6/h7-8,13,18,21H,9H2,1-6H3,(H,19,20)/p-1