3-[[3,5-bis[(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-4-oxidanyl-phenyl]methylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 3-[[3,5-bis[(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-4-oxidanyl-phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[4-hydroxy-3,5-bis[(3-hydroxy-2-methyl-3-oxo-propyl)sulfanylmethyl]phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[4-hydroxy-3,5-bis[[(3-hydroxy-2-methyl-3-oxopropyl)thio]methyl]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[4-hydroxy-3,5-bis[(3-hydroxy-2-methyl-3-oxopropyl)sulfanylmethyl]phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[4-hydroxy-3,5-bis[[(3-hydroxy-3-keto-2-methyl-propyl)thio]methyl]benzyl]thio]-2-methyl-propionic acid Formula: C21H30O7S3 MolecularWeight: 490.6537

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC(=C(C(=C1)CSCC(C)C(=O)O)O)CSCC(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(CSCC1=CC(=C(C(=C1)CSCC(C)C(=O)O)O)CSCC(C)C(=O)O)C(=O)O

InChI

InChI=1S/C21H30O7S3/c1-12(19(23)24)6-29-9-15-4-16(10-30-7-13(2)20(25)26)18(22)17(5-15)11-31-8-14(3)21(27)28/h4-5,12-14,22H,6-11H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)