tetrasodium 2-methyl-1-oxidanyl-1-oxidanylidene-8-phenyl-7-propoxycarbonyl-decane-2,3,4,5-tetracarboxylate

Systemtic Name: tetrasodium 2-methyl-1-oxidanyl-1-oxidanylidene-8-phenyl-7-propoxycarbonyl-decane-2,3,4,5-tetracarboxylate Openeye Name: tetrasodium 1-hydroxy-2-methyl-1-oxo-8-phenyl-7-propoxycarbonyl-decane-2,3,4,5-tetracarboxylate CAS Name: tetrasodium 1-hydroxy-2-methyl-1-oxo-7-[oxo(propoxy)methyl]-8-phenyldecane-2,3,4,5-tetracarboxylate IUPAC Name: tetrasodium 1-hydroxy-2-methyl-1-oxo-8-phenyl-7-propoxycarbonyldecane-2,3,4,5-tetracarboxylate Traditional Name: tetrasodium 1-hydroxy-1-keto-2-methyl-8-phenyl-7-propoxycarbonyl-decane-2,3,4,5-tetracarboxylate Formula: C25H28Na4O12 MolecularWeight: 612.4417

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(CC)C1=CC=CC=C1)C(C(C(C(C(C)C(=O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCOC(=O)C(C(CC)C1=CC=CC=C1)C(C(C(C(C(C)C(=O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H32O12.4Na/c1-4-11-37-25(36)16(14(5-2)13-9-7-6-8-10-13)18(23(32)33)19(24(34)35)17(22(30)31)15(21(28)29)12(3)20(26)27;;;;/h6-10,12,14-19H,4-5,11H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);;;;/q;4*+1/p-4