methyl (2S,3S,4aS,5R,8aR)-5-bis(phenylmethoxy)phosphoryloxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: methyl (2S,3S,4aS,5R,8aR)-5-bis(phenylmethoxy)phosphoryloxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylate Openeye Name: methyl (2S,3S,4aS,5R,8aR)-5-dibenzyloxyphosphoryloxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylate CAS Name: (2S,3S,4aS,5R,8aR)-5-bis(phenylmethoxy)phosphoryloxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4aS,5R,8aR)-5-bis(phenylmethoxy)phosphoryloxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylate Traditional Name: (2S,3S,4aS,5R,8aR)-5-dibenzoxyphosphoryloxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-carboxylic acid methyl ester Formula: C28H35O10P MolecularWeight: 562.545261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2C(O1)CC(=CC2OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)OC)(C)OC)OC

Isomeric SMILES

C[C@]1([C@@](O[C@H]2[C@H](O1)CC(=C[C@H]2OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)OC)(C)OC)OC

InChI

InChI=1S/C28H35O10P/c1-27(32-4)28(2,33-5)37-25-23(36-27)16-22(26(29)31-3)17-24(25)38-39(30,34-18-20-12-8-6-9-13-20)35-19-21-14-10-7-11-15-21/h6-15,17,23-25H,16,18-19H2,1-5H3/t23-,24-,25+,27+,28+/m1/s1