[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(9H-xanthen-9-ylsulfanyl)oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(9H-xanthen-9-ylsulfanyl)oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-(9H-xanthen-9-ylsulfanyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(9H-xanthen-9-ylthio)-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(9H-xanthen-9-ylsulfanyl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-(9H-xanthen-9-ylthio)tetrahydropyran-2-yl]methyl ester Formula: C27H28O10S MolecularWeight: 544.57022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2C3=CC=CC=C3OC4=CC=CC=C24)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2C3=CC=CC=C3OC4=CC=CC=C24)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H28O10S/c1-14(28)32-13-22-23(33-15(2)29)24(34-16(3)30)25(35-17(4)31)27(37-22)38-26-18-9-5-7-11-20(18)36-21-12-8-6-10-19(21)26/h5-12,22-27H,13H2,1-4H3/t22-,23-,24+,25-,27+/m1/s1