(1S,3R,4R,4aR,12aR)-1-methoxy-3-methyl-6,6,11,11-tetrakis(oxidanylidene)-1,3,4,4a,12,12a-hexahydropyrano[4,3-c][2,1,6,5]benzoxadithiazocin-4-ol

Systemtic Name: (1S,3R,4R,4aR,12aR)-1-methoxy-3-methyl-6,6,11,11-tetrakis(oxidanylidene)-1,3,4,4a,12,12a-hexahydropyrano[4,3-c][2,1,6,5]benzoxadithiazocin-4-ol Openeye Name: (1S,3R,4R,4aR,12aR)-1-methoxy-3-methyl-6,6,11,11-tetraoxo-1,3,4,4a,12,12a-hexahydropyrano[4,3-c][2,1,6,5]benzoxadithiazocin-4-ol CAS Name: (1S,3R,4R,4aR,12aR)-1-methoxy-3-methyl-6,6,11,11-tetraoxo-1,3,4,4a,12,12a-hexahydropyrano[4,3-c][2,1,6,5]benzoxadithiazocin-4-ol IUPAC Name: (1S,3R,4R,4aR,12aR)-1-methoxy-3-methyl-6,6,11,11-tetraoxo-1,3,4,4a,12,12a-hexahydropyrano[4,3-c][2,1,6,5]benzoxadithiazocin-4-ol Traditional Name: (1S,3R,4R,4aR,12aR)-6,6,11,11-tetraketo-1-methoxy-3-methyl-1,3,4,4a,12,12a-hexahydropyrano[4,3-c][2,1,6,5]benzoxadithiazocin-4-ol Formula: C13H17NO8S2 MolecularWeight: 379.40598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2C(C(O1)OC)NS(=O)(=O)C3=CC=CC=C3S(=O)(=O)O2)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H]2[C@H]([C@H](O1)OC)NS(=O)(=O)C3=CC=CC=C3S(=O)(=O)O2)O

InChI

InChI=1S/C13H17NO8S2/c1-7-11(15)12-10(13(20-2)21-7)14-23(16,17)8-5-3-4-6-9(8)24(18,19)22-12/h3-7,10-15H,1-2H3/t7-,10-,11-,12-,13+/m1/s1