4,5-bis(oxidanyl)-2-[1-[4-(pentylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one

Systemtic Name: 4,5-bis(oxidanyl)-2-[1-[4-(pentylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one Openeye Name: 4,5-dihydroxy-2-[1-[4-(pentylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one CAS Name: 4,5-dihydroxy-2-[1-[4-[(pentylthio)methyl]phenyl]but-3-ynyl]-3-furanone IUPAC Name: 4,5-dihydroxy-2-[1-[4-(pentylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one Traditional Name: 2-[1-[4-[(amylthio)methyl]phenyl]but-3-ynyl]-4,5-dihydroxy-furan-3-one Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC1=CC=C(C=C1)C(CC#C)C2C(=O)C(=C(O2)O)O

Isomeric SMILES

CCCCCSCC1=CC=C(C=C1)C(CC#C)C2C(=O)C(=C(O2)O)O

InChI

InChI=1S/C20H24O4S/c1-3-5-6-12-25-13-14-8-10-15(11-9-14)16(7-4-2)19-17(21)18(22)20(23)24-19/h2,8-11,16,19,22-23H,3,5-7,12-13H2,1H3