[(2S)-1-methoxy-3-[2-methoxy-4,6-bis-(4-methylphenyl)sulfonyloxy-2,3-dihydro-1-benzofuran-3-yl]-1-oxidanylidene-propan-2-yl] benzoate

Systemtic Name: [(2S)-1-methoxy-3-[2-methoxy-4,6-bis-(4-methylphenyl)sulfonyloxy-2,3-dihydro-1-benzofuran-3-yl]-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [(1S)-2-methoxy-1-[[2-methoxy-4,6-bis(p-tolylsulfonyloxy)-2,3-dihydrobenzofuran-3-yl]methyl]-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(2S)-1-methoxy-3-[2-methoxy-4,6-bis-(4-methylphenyl)sulfonyloxy-2,3-dihydrobenzofuran-3-yl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-methoxy-3-[2-methoxy-4,6-bis-(4-methylphenyl)sulfonyloxy-2,3-dihydro-1-benzofuran-3-yl]-1-oxopropan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-2-keto-2-methoxy-1-[(2-methoxy-4,6-ditosyloxy-coumaran-3-yl)methyl]ethyl] ester Formula: C34H32O12S2 MolecularWeight: 696.74068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C3C(C(OC3=C2)OC)CC(C(=O)OC)OC(=O)C4=CC=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C3C(C(OC3=C2)OC)C[C@@H](C(=O)OC)OC(=O)C4=CC=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C34H32O12S2/c1-21-10-14-25(15-11-21)47(37,38)45-24-18-28-31(29(19-24)46-48(39,40)26-16-12-22(2)13-17-26)27(34(42-4)44-28)20-30(33(36)41-3)43-32(35)23-8-6-5-7-9-23/h5-19,27,30,34H,20H2,1-4H3/t27?,30-,34?/m0/s1