(E)-3-[4-methylsulfanyl-2,3,6-tris(oxidanyl)phenyl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[4-methylsulfanyl-2,3,6-tris(oxidanyl)phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(2,3,6-trihydroxy-4-methylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[2,3,6-trihydroxy-4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(2,3,6-trihydroxy-4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[2,3,6-trihydroxy-4-(methylthio)phenyl]prop-2-en-1-one Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C(=C1)O)C=CC(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

CSC1=C(C(=C(C(=C1)O)/C=C/C(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C16H14O4S/c1-21-14-9-13(18)11(15(19)16(14)20)7-8-12(17)10-5-3-2-4-6-10/h2-9,18-20H,1H3/b8-7+