3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-[7-(phenylmethoxycarbonylamino)heptyl]oxan-2-olate

Systemtic Name: 3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-[7-(phenylmethoxycarbonylamino)heptyl]oxan-2-olate Openeye Name: 3,4,5-triacetoxy-6-(acetoxymethyl)-2-[7-(benzyloxycarbonylamino)heptyl]tetrahydropyran-2-olate CAS Name: 3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-[7-(phenylmethoxycarbonylamino)heptyl]-2-oxanolate IUPAC Name: 3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-[7-(phenylmethoxycarbonylamino)heptyl]oxan-2-olate Traditional Name: 3,4,5-triacetoxy-6-(acetoxymethyl)-2-[7-(benzyloxycarbonylamino)heptyl]tetrahydropyran-2-olate Formula: C29H40NO12- MolecularWeight: 594.6274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)(CCCCCCCNC(=O)OCC2=CC=CC=C2)[O-])OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)(CCCCCCCNC(=O)OCC2=CC=CC=C2)[O-])OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H40NO12/c1-19(31)37-18-24-25(39-20(2)32)26(40-21(3)33)27(41-22(4)34)29(36,42-24)15-11-6-5-7-12-16-30-28(35)38-17-23-13-9-8-10-14-23/h8-10,13-14,24-27H,5-7,11-12,15-18H2,1-4H3,(H,30,35)/q-1