2-[[3-tert-butyl-5-(carboxymethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-tert-butyl-5-(carboxymethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-tert-butyl-5-(carboxymethylsulfanylmethyl)-4-hydroxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-tert-butyl-5-[(carboxymethylthio)methyl]-4-hydroxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[3-tert-butyl-5-(carboxymethylsulfanylmethyl)-4-hydroxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-tert-butyl-5-[(carboxymethylthio)methyl]-4-hydroxy-benzyl]thio]acetic acid Formula: C16H22O5S2 MolecularWeight: 358.47288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O5S2/c1-16(2,3)12-5-10(6-22-8-13(17)18)4-11(15(12)21)7-23-9-14(19)20/h4-5,21H,6-9H2,1-3H3,(H,17,18)(H,19,20)