(3S)-3-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-8-oxidanyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-8-oxidanyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-8-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]isochroman-1-one CAS Name: (3S)-8-hydroxy-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-8-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydroisochromen-1-one Traditional Name: (3S)-8-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]isochroman-1-one Formula: C21H22O9 MolecularWeight: 418.39398

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1[C@H](OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C21H22O9/c22-9-15-17(24)18(25)19(26)21(30-15)28-12-6-4-10(5-7-12)14-8-11-2-1-3-13(23)16(11)20(27)29-14/h1-7,14-15,17-19,21-26H,8-9H2/t14-,15+,17+,18-,19+,21+/m0/s1