4,5-bis(oxidanyl)-2-[4-[2-(propylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one

Systemtic Name: 4,5-bis(oxidanyl)-2-[4-[2-(propylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one Openeye Name: 4,5-dihydroxy-2-[4-[2-(propylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one CAS Name: 4,5-dihydroxy-2-[4-[2-[(propylthio)methyl]phenyl]but-3-ynyl]-3-furanone IUPAC Name: 4,5-dihydroxy-2-[4-[2-(propylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one Traditional Name: 4,5-dihydroxy-2-[4-[2-[(propylthio)methyl]phenyl]but-3-ynyl]furan-3-one Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=CC=CC=C1C#CCCC2C(=O)C(=C(O2)O)O

Isomeric SMILES

CCCSCC1=CC=CC=C1C#CCCC2C(=O)C(=C(O2)O)O

InChI

InChI=1S/C18H20O4S/c1-2-11-23-12-14-9-4-3-7-13(14)8-5-6-10-15-16(19)17(20)18(21)22-15/h3-4,7,9,15,20-21H,2,6,10-12H2,1H3