2-methyl-7-(morpholin-4-ylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione hydrate

Systemtic Name: 2-methyl-7-(morpholin-4-ylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione hydrate Openeye Name: 2-methyl-7-(morpholinomethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione hydrate CAS Name: 2-methyl-7-(4-morpholinylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione hydrate IUPAC Name: 2-methyl-7-(morpholin-4-ylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione hydrate Traditional Name: 2-methyl-7-(morpholinomethyl)-3,8-dioxaspiro[4.4]nonane-4,9-quinone hydrate Formula: C26H40N2O11 MolecularWeight: 556.6026

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(CC(OC2=O)CN3CCOCC3)C(=O)O1.CC1CC2(CC(OC2=O)CN3CCOCC3)C(=O)O1.O

Isomeric SMILES

CC1CC2(CC(OC2=O)CN3CCOCC3)C(=O)O1.CC1CC2(CC(OC2=O)CN3CCOCC3)C(=O)O1.O

InChI

InChI=1S/2C13H19NO5.H2O/c2*1-9-6-13(11(15)18-9)7-10(19-12(13)16)8-14-2-4-17-5-3-14;/h2*9-10H,2-8H2,1H3;1H2