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

Systemtic Name: (E)-3-[4-decylsulfanyl-2,3,6-tris(oxidanyl)phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-decylsulfanyl-2,3,6-trihydroxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(decylthio)-2,3,6-trihydroxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-decylsulfanyl-2,3,6-trihydroxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(decylthio)-2,3,6-trihydroxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=C(C(=C(C(=C1)O)C=CC(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCCCCCCSC1=C(C(=C(C(=C1)O)/C=C/C(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C25H32O4S/c1-2-3-4-5-6-7-8-12-17-30-23-18-22(27)20(24(28)25(23)29)15-16-21(26)19-13-10-9-11-14-19/h9-11,13-16,18,27-29H,2-8,12,17H2,1H3/b16-15+