methyl (2S)-3-[2-(4-chloranylbutoxy)-4,6-bis-(4-methylphenyl)sulfonyloxy-2,3-dihydro-1-benzofuran-3-yl]-2-oxidanyl-propanoate

Systemtic Name: methyl (2S)-3-[2-(4-chloranylbutoxy)-4,6-bis-(4-methylphenyl)sulfonyloxy-2,3-dihydro-1-benzofuran-3-yl]-2-oxidanyl-propanoate Openeye Name: methyl (2S)-3-[2-(4-chlorobutoxy)-4,6-bis(p-tolylsulfonyloxy)-2,3-dihydrobenzofuran-3-yl]-2-hydroxy-propanoate CAS Name: (2S)-3-[2-(4-chlorobutoxy)-4,6-bis-(4-methylphenyl)sulfonyloxy-2,3-dihydrobenzofuran-3-yl]-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-3-[2-(4-chlorobutoxy)-4,6-bis-(4-methylphenyl)sulfonyloxy-2,3-dihydro-1-benzofuran-3-yl]-2-hydroxypropanoate Traditional Name: (2S)-3-[2-(4-chlorobutoxy)-4,6-ditosyloxy-coumaran-3-yl]-2-hydroxy-propionic acid methyl ester Formula: C30H33ClO11S2 MolecularWeight: 669.15942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33ClO11S2/c1-19-6-10-22(11-7-19)43(34,35)41-21-16-26-28(27(17-21)42-44(36,37)23-12-8-20(2)9-13-23)24(18-25(32)29(33)38-3)30(40-26)39-15-5-4-14-31/h6-13,16-17,24-25,30,32H,4-5,14-15,18H2,1-3H3/t24?,25-,30?/m0/s1