3-[[3,5-bis(2-carboxyethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[3,5-bis(2-carboxyethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[[3,5-bis(2-carboxyethylsulfanylmethyl)-4-hydroxy-phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[3,5-bis[(2-carboxyethylthio)methyl]-4-hydroxyphenyl]methylthio]propanoic acid IUPAC Name: 3-[[3,5-bis(2-carboxyethylsulfanylmethyl)-4-hydroxyphenyl]methylsulfanyl]propanoic acid Traditional Name: 3-[[3,5-bis[(2-carboxyethylthio)methyl]-4-hydroxy-benzyl]thio]propionic acid Formula: C18H24O7S3 MolecularWeight: 448.57396

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CSCCC(=O)O)O)CSCCC(=O)O)CSCCC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1CSCCC(=O)O)O)CSCCC(=O)O)CSCCC(=O)O

InChI

InChI=1S/C18H24O7S3/c19-15(20)1-4-26-9-12-7-13(10-27-5-2-16(21)22)18(25)14(8-12)11-28-6-3-17(23)24/h7-8,25H,1-6,9-11H2,(H,19,20)(H,21,22)(H,23,24)