3-ethoxycarbonyl-3-oxidanyl-5-oxidanylidene-5-(3,4,5-trimethoxyphenyl)sulfonyloxy-pentanoate; urea

Systemtic Name: 3-ethoxycarbonyl-3-oxidanyl-5-oxidanylidene-5-(3,4,5-trimethoxyphenyl)sulfonyloxy-pentanoate; urea Openeye Name: 3-ethoxycarbonyl-3-hydroxy-5-oxo-5-(3,4,5-trimethoxyphenyl)sulfonyloxy-pentanoate; urea CAS Name: 3-ethoxycarbonyl-3-hydroxy-5-oxo-5-(3,4,5-trimethoxyphenyl)sulfonyloxypentanoate; urea IUPAC Name: 3-ethoxycarbonyl-3-hydroxy-5-oxo-5-(3,4,5-trimethoxyphenyl)sulfonyloxypentanoate; urea Traditional Name: 3-carbethoxy-3-hydroxy-5-keto-5-(3,4,5-trimethoxyphenyl)sulfonyloxy-valerate; urea Formula: C18H25N2O13S- MolecularWeight: 509.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)[O-])(CC(=O)OS(=O)(=O)C1=CC(=C(C(=C1)OC)OC)OC)O.C(=O)(N)N

Isomeric SMILES

CCOC(=O)C(CC(=O)[O-])(CC(=O)OS(=O)(=O)C1=CC(=C(C(=C1)OC)OC)OC)O.C(=O)(N)N

InChI

InChI=1S/C17H22O12S.CH4N2O/c1-5-28-16(21)17(22,8-13(18)19)9-14(20)29-30(23,24)10-6-11(25-2)15(27-4)12(7-10)26-3;2-1(3)4/h6-7,22H,5,8-9H2,1-4H3,(H,18,19);(H4,2,3,4)/p-1