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

Systemtic Name: 4,5-bis(oxidanyl)-2-[4-[2-(phenylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one Openeye Name: 4,5-dihydroxy-2-[4-[2-(phenylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one CAS Name: 4,5-dihydroxy-2-[4-[2-[(phenylthio)methyl]phenyl]but-3-ynyl]-3-furanone IUPAC Name: 4,5-dihydroxy-2-[4-[2-(phenylsulfanylmethyl)phenyl]but-3-ynyl]furan-3-one Traditional Name: 4,5-dihydroxy-2-[4-[2-[(phenylthio)methyl]phenyl]but-3-ynyl]furan-3-one Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC=CC=C2C#CCCC3C(=O)C(=C(O3)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC=CC=C2C#CCCC3C(=O)C(=C(O3)O)O

InChI

InChI=1S/C21H18O4S/c22-19-18(25-21(24)20(19)23)13-7-6-9-15-8-4-5-10-16(15)14-26-17-11-2-1-3-12-17/h1-5,8,10-12,18,23-24H,7,13-14H2