[3,4-bis(oxidanyl)-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3,4-bis(oxidanyl)-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-benzyloxy-5-(benzyloxycarbonylamino)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,4-dihydroxy-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)-2-oxanyl]methyl ester IUPAC Name: [3,4-dihydroxy-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-benzoxy-5-(benzyloxycarbonylamino)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C28H31NO9S MolecularWeight: 557.61204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O)O

InChI

InChI=1S/C28H31NO9S/c1-19-12-14-22(15-13-19)39(33,34)37-18-23-25(30)26(31)24(27(38-23)35-16-20-8-4-2-5-9-20)29-28(32)36-17-21-10-6-3-7-11-21/h2-15,23-27,30-31H,16-18H2,1H3,(H,29,32)