4-hexadecylsulfanyl-5-oxidanyl-2-phenyl-furan-3-one

Systemtic Name: 4-hexadecylsulfanyl-5-oxidanyl-2-phenyl-furan-3-one Openeye Name: 4-hexadecylsulfanyl-5-hydroxy-2-phenyl-furan-3-one CAS Name: 4-(hexadecylthio)-5-hydroxy-2-phenyl-3-furanone IUPAC Name: 4-hexadecylsulfanyl-5-hydroxy-2-phenylfuran-3-one Traditional Name: 4-(cetylthio)-5-hydroxy-2-phenyl-furan-3-one Formula: C26H40O3S MolecularWeight: 432.659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(OC(C1=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(OC(C1=O)C2=CC=CC=C2)O

InChI

InChI=1S/C26H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30-25-23(27)24(29-26(25)28)22-19-16-15-17-20-22/h15-17,19-20,24,28H,2-14,18,21H2,1H3