[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(heptadeca-10,12-diynoylamino)phenoxy]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(heptadeca-10,12-diynoylamino)phenoxy]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[4-(heptadeca-10,12-diynoylamino)phenoxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(1-oxoheptadeca-10,12-diynylamino)phenoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(heptadeca-10,12-diynoylamino)phenoxy]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[4-(heptadeca-10,12-diynoylamino)phenoxy]tetrahydropyran-2-yl]methyl ester Formula: C37H49NO11 MolecularWeight: 683.78506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC#CCCCCCCCCC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCC#CC#CCCCCCCCCC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C37H49NO11/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(43)38-30-21-23-31(24-22-30)48-37-36(47-29(5)42)35(46-28(4)41)34(45-27(3)40)32(49-37)25-44-26(2)39/h21-24,32,34-37H,6-8,13-20,25H2,1-5H3,(H,38,43)/t32-,34-,35+,36-,37-/m1/s1