2-[1-[4-(pentylsulfanylmethyl)phenyl]but-3-ynyl]furan-3,4-diol

Systemtic Name: 2-[1-[4-(pentylsulfanylmethyl)phenyl]but-3-ynyl]furan-3,4-diol Openeye Name: 2-[1-[4-(pentylsulfanylmethyl)phenyl]but-3-ynyl]furan-3,4-diol CAS Name: 2-[1-[4-[(pentylthio)methyl]phenyl]but-3-ynyl]furan-3,4-diol IUPAC Name: 2-[1-[4-(pentylsulfanylmethyl)phenyl]but-3-ynyl]furan-3,4-diol Traditional Name: 2-[1-[4-[(amylthio)methyl]phenyl]but-3-ynyl]furan-3,4-diol Formula: C20H24O3S MolecularWeight: 344.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC1=CC=C(C=C1)C(CC#C)C2=C(C(=CO2)O)O

Isomeric SMILES

CCCCCSCC1=CC=C(C=C1)C(CC#C)C2=C(C(=CO2)O)O

InChI

InChI=1S/C20H24O3S/c1-3-5-6-12-24-14-15-8-10-16(11-9-15)17(7-4-2)20-19(22)18(21)13-23-20/h2,8-11,13,17,21-22H,3,5-7,12,14H2,1H3