2-[[4-[(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]butanoic acid

Systemtic Name: 2-[[4-[(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]butanoic acid Openeye Name: 2-[[4-(1-carboxypropylsulfanylmethyl)phenyl]methylsulfanyl]butanoic acid CAS Name: 2-[[4-[[(1-hydroxy-1-oxobutan-2-yl)thio]methyl]phenyl]methylthio]butanoic acid IUPAC Name: 2-[[4-[(1-hydroxy-1-oxobutan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]butanoic acid Traditional Name: 2-[[4-[(1-carboxypropylthio)methyl]benzyl]thio]butyric acid Formula: C16H22O4S2 MolecularWeight: 342.47348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SCC1=CC=C(C=C1)CSC(CC)C(=O)O

Isomeric SMILES

CCC(C(=O)O)SCC1=CC=C(C=C1)CSC(CC)C(=O)O

InChI

InChI=1S/C16H22O4S2/c1-3-13(15(17)18)21-9-11-5-7-12(8-6-11)10-22-14(4-2)16(19)20/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,17,18)(H,19,20)