methyl (3S,6S)-3,4,5-tris(oxidanyl)-6-pyren-1-yloxy-oxane-2-carboxylate

Systemtic Name: methyl (3S,6S)-3,4,5-tris(oxidanyl)-6-pyren-1-yloxy-oxane-2-carboxylate Openeye Name: methyl (3S,6S)-3,4,5-trihydroxy-6-pyren-1-yloxy-tetrahydropyran-2-carboxylate CAS Name: (3S,6S)-3,4,5-trihydroxy-6-(1-pyrenyloxy)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (3S,6S)-3,4,5-trihydroxy-6-pyren-1-yloxyoxane-2-carboxylate Traditional Name: (3S,6S)-3,4,5-trihydroxy-6-pyren-1-yloxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C23H20O7 MolecularWeight: 408.4007

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(C(O1)OC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O)O)O

Isomeric SMILES

COC(=O)C1[C@H](C(C([C@@H](O1)OC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O)O)O

InChI

InChI=1S/C23H20O7/c1-28-22(27)21-19(25)18(24)20(26)23(30-21)29-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10,18-21,23-26H,1H3/t18?,19-,20?,21?,23+/m0/s1