(3S,4R)-4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[oxidanyl-(2,4,5-trimethoxyphenyl)methyl]oxolan-2-one

Systemtic Name: (3S,4R)-4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[oxidanyl-(2,4,5-trimethoxyphenyl)methyl]oxolan-2-one Openeye Name: (3S,4R)-4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[hydroxy-(2,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one CAS Name: (3S,4R)-4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[hydroxy-(2,4,5-trimethoxyphenyl)methyl]-2-oxolanone IUPAC Name: (3S,4R)-4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[hydroxy-(2,4,5-trimethoxyphenyl)methyl]oxolan-2-one Traditional Name: (3S,4R)-3-[asaryl(hydroxy)methyl]-4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]tetrahydrofuran-2-one Formula: C25H28O8S2 MolecularWeight: 520.61502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2C(COC2=O)C3(SCCCS3)C4=CC5=C(C=C4)OCO5)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C([C@@H]2[C@H](COC2=O)C3(SCCCS3)C4=CC5=C(C=C4)OCO5)O)OC)OC

InChI

InChI=1S/C25H28O8S2/c1-28-18-11-20(30-3)19(29-2)10-15(18)23(26)22-16(12-31-24(22)27)25(34-7-4-8-35-25)14-5-6-17-21(9-14)33-13-32-17/h5-6,9-11,16,22-23,26H,4,7-8,12-13H2,1-3H3/t16-,22-,23?/m0/s1