3-[[3-tert-butyl-5-(2-carboxyethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[3-tert-butyl-5-(2-carboxyethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[[3-tert-butyl-5-(2-carboxyethylsulfanylmethyl)-4-hydroxy-phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[3-tert-butyl-5-[(2-carboxyethylthio)methyl]-4-hydroxyphenyl]methylthio]propanoic acid IUPAC Name: 3-[[3-tert-butyl-5-(2-carboxyethylsulfanylmethyl)-4-hydroxyphenyl]methylsulfanyl]propanoic acid Traditional Name: 3-[[3-tert-butyl-5-[(2-carboxyethylthio)methyl]-4-hydroxy-benzyl]thio]propionic acid Formula: C18H26O5S2 MolecularWeight: 386.52604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)CSCCC(=O)O)CSCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)CSCCC(=O)O)CSCCC(=O)O

InChI

InChI=1S/C18H26O5S2/c1-18(2,3)14-9-12(10-24-6-4-15(19)20)8-13(17(14)23)11-25-7-5-16(21)22/h8-9,23H,4-7,10-11H2,1-3H3,(H,19,20)(H,21,22)