(4'R,4'aS,7'aS)-4'-(3,5-dimethoxy-4-oxidanyl-phenyl)spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothieno[2,3-f][2]benzofuran]-5'-one

Systemtic Name: (4'R,4'aS,7'aS)-4'-(3,5-dimethoxy-4-oxidanyl-phenyl)spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothieno[2,3-f][2]benzofuran]-5'-one Openeye Name: (4'R,4'aS,7'aS)-4'-(4-hydroxy-3,5-dimethoxy-phenyl)spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothieno[2,3-f]isobenzofuran]-5'-one CAS Name: (4'R,4'aS,7'aS)-4'-(4-hydroxy-3,5-dimethoxyphenyl)-5'-spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothieno[2,3-f]isobenzofuran]one IUPAC Name: (4'R,4'aS,7'aS)-4'-(4-hydroxy-3,5-dimethoxyphenyl)spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothieno[2,3-f][2]benzofuran]-5'-one Traditional Name: (4'R,4'aS,7'aS)-4'-(4-hydroxy-3,5-dimethoxy-phenyl)spiro[1,3-dithiane-2,8'-4,4a,7,7a-tetrahydrothien[2,3-f]isobenzofuran]-5'-one Formula: C21H22O5S3 MolecularWeight: 450.59138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C4(C5=C2C=CS5)SCCCS4

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@H]3[C@@H](COC3=O)C4(C5=C2C=CS5)SCCCS4

InChI

InChI=1S/C21H22O5S3/c1-24-14-8-11(9-15(25-2)18(14)22)16-12-4-7-27-19(12)21(28-5-3-6-29-21)13-10-26-20(23)17(13)16/h4,7-9,13,16-17,22H,3,5-6,10H2,1-2H3/t13-,16-,17-/m1/s1