2-[[3,5-bis(carboxymethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3,5-bis(carboxymethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3,5-bis(carboxymethylsulfanylmethyl)-4-hydroxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3,5-bis[(carboxymethylthio)methyl]-4-hydroxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[3,5-bis(carboxymethylsulfanylmethyl)-4-hydroxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3,5-bis[(carboxymethylthio)methyl]-4-hydroxy-benzyl]thio]acetic acid Formula: C15H18O7S3 MolecularWeight: 406.49422

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CSCC(=O)O)O)CSCC(=O)O)CSCC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1CSCC(=O)O)O)CSCC(=O)O)CSCC(=O)O

InChI

InChI=1S/C15H18O7S3/c16-12(17)6-23-3-9-1-10(4-24-7-13(18)19)15(22)11(2-9)5-25-8-14(20)21/h1-2,22H,3-8H2,(H,16,17)(H,18,19)(H,20,21)