4-[[4-oxidanyl-3,5-bis(3-oxidanylidenebutylsulfanylmethyl)phenyl]methylsulfanyl]butan-2-one

Systemtic Name: 4-[[4-oxidanyl-3,5-bis(3-oxidanylidenebutylsulfanylmethyl)phenyl]methylsulfanyl]butan-2-one Openeye Name: 4-[[4-hydroxy-3,5-bis(3-oxobutylsulfanylmethyl)phenyl]methylsulfanyl]butan-2-one CAS Name: 4-[[4-hydroxy-3,5-bis[(3-oxobutylthio)methyl]phenyl]methylthio]-2-butanone IUPAC Name: 4-[[4-hydroxy-3,5-bis(3-oxobutylsulfanylmethyl)phenyl]methylsulfanyl]butan-2-one Traditional Name: 4-[[4-hydroxy-3,5-bis[(3-ketobutylthio)methyl]benzyl]thio]butan-2-one Formula: C21H30O4S3 MolecularWeight: 442.6555

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSCC1=CC(=C(C(=C1)CSCCC(=O)C)O)CSCCC(=O)C

Isomeric SMILES

CC(=O)CCSCC1=CC(=C(C(=C1)CSCCC(=O)C)O)CSCCC(=O)C

InChI

InChI=1S/C21H30O4S3/c1-15(22)4-7-26-12-18-10-19(13-27-8-5-16(2)23)21(25)20(11-18)14-28-9-6-17(3)24/h10-11,25H,4-9,12-14H2,1-3H3