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

Systemtic Name: methyl (3S,6S)-3,4,5-triacetyloxy-6-pyren-1-yloxy-oxane-2-carboxylate Openeye Name: methyl (3S,6S)-3,4,5-triacetoxy-6-pyren-1-yloxy-tetrahydropyran-2-carboxylate CAS Name: (3S,6S)-3,4,5-triacetyloxy-6-(1-pyrenyloxy)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (3S,6S)-3,4,5-triacetyloxy-6-pyren-1-yloxyoxane-2-carboxylate Traditional Name: (3S,6S)-3,4,5-triacetoxy-6-pyren-1-yloxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C29H26O10 MolecularWeight: 534.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1C(C([C@@H](OC1C(=O)OC)OC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H26O10/c1-14(30)35-24-25(36-15(2)31)27(37-16(3)32)29(39-26(24)28(33)34-4)38-21-13-11-19-9-8-17-6-5-7-18-10-12-20(21)23(19)22(17)18/h5-13,24-27,29H,1-4H3/t24-,25?,26?,27?,29+/m0/s1