[(2R,3S,4R)-2,3,4-tris(phenylmethoxy)hept-6-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S,4R)-2,3,4-tris(phenylmethoxy)hept-6-ynyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S,4R)-2,3,4-tribenzyloxyhept-6-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S,4R)-2,3,4-tris(phenylmethoxy)hept-6-ynyl] ester IUPAC Name: [(2R,3S,4R)-2,3,4-tris(phenylmethoxy)hept-6-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S,4R)-2,3,4-tribenzoxyhept-6-ynyl] ester Formula: C35H36O6S MolecularWeight: 584.72174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(CC#C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@H]([C@@H](CC#C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C35H36O6S/c1-3-13-33(38-24-29-14-7-4-8-15-29)35(40-26-31-18-11-6-12-19-31)34(39-25-30-16-9-5-10-17-30)27-41-42(36,37)32-22-20-28(2)21-23-32/h1,4-12,14-23,33-35H,13,24-27H2,2H3/t33-,34-,35+/m1/s1