(2S,3S,4S,5R,6S)-6-[4-[1-(4-hydroxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: (2S,3S,4S,5R,6S)-6-[4-[1-(4-hydroxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-isobenzofuran-1-yl]phenoxy]tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-1-isobenzofuranyl]phenoxy]-2-oxanecarboxylate IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]oxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-keto-phthalan-1-yl]phenoxy]tetrahydropyran-2-carboxylate Formula: C26H21O10- MolecularWeight: 493.43894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)C(=O)[O-])O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O

InChI

InChI=1S/C26H22O10/c27-15-9-5-13(6-10-15)26(18-4-2-1-3-17(18)24(33)36-26)14-7-11-16(12-8-14)34-25-21(30)19(28)20(29)22(35-25)23(31)32/h1-12,19-22,25,27-30H,(H,31,32)/p-1/t19-,20-,21+,22-,25+,26?/m0/s1