(E)-3-(1-benzofuran-5-yl)-1-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxy-4-methyl-6-oxidanyl-phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-benzofuran-5-yl)-1-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxy-4-methyl-6-oxidanyl-phenyl]prop-2-en-1-one Openeye Name: (E)-3-(benzofuran-5-yl)-1-[2-hydroxy-4-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrothiopyran-2-yl]oxy-phenyl]prop-2-en-1-one CAS Name: (E)-3-(5-benzofuranyl)-1-[2-hydroxy-4-methyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-thianyl]oxy]phenyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzofuran-5-yl)-1-[2-hydroxy-4-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]oxyphenyl]prop-2-en-1-one Traditional Name: (E)-3-(benzofuran-5-yl)-1-[2-hydroxy-4-methyl-6-(3,4,5-trihydroxy-6-methylol-tetrahydrothiopyran-2-yl)oxy-phenyl]prop-2-en-1-one Formula: C24H24O8S MolecularWeight: 472.50756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2C(C(C(C(S2)CO)O)O)O)C(=O)C=CC3=CC4=C(C=C3)OC=C4)O

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2C(C(C(C(S2)CO)O)O)O)C(=O)/C=C/C3=CC4=C(C=C3)OC=C4)O

InChI

InChI=1S/C24H24O8S/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h2-10,19,21-25,27-30H,11H2,1H3/b4-2+