3-[3-(hydroxymethyl)-4-oxidanyl-but-2-enoxy]-6-methyl-1,8-bis(oxidanyl)xanthen-9-one

Systemtic Name: 3-[3-(hydroxymethyl)-4-oxidanyl-but-2-enoxy]-6-methyl-1,8-bis(oxidanyl)xanthen-9-one Openeye Name: 1,8-dihydroxy-3-[4-hydroxy-3-(hydroxymethyl)but-2-enoxy]-6-methyl-xanthen-9-one CAS Name: 1,8-dihydroxy-3-[4-hydroxy-3-(hydroxymethyl)but-2-enoxy]-6-methyl-9-xanthenone IUPAC Name: 1,8-dihydroxy-3-[4-hydroxy-3-(hydroxymethyl)but-2-enoxy]-6-methylxanthen-9-one Traditional Name: 1,8-dihydroxy-3-(4-hydroxy-3-methylol-but-2-enoxy)-6-methyl-xanthone Formula: C19H18O7 MolecularWeight: 358.34202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3O2)OCC=C(CO)CO)O

Isomeric SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3O2)OCC=C(CO)CO)O

InChI

InChI=1S/C19H18O7/c1-10-4-13(22)17-15(5-10)26-16-7-12(6-14(23)18(16)19(17)24)25-3-2-11(8-20)9-21/h2,4-7,20-23H,3,8-9H2,1H3