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

Systemtic Name: tetrasodium 2-methyl-1-oxidanyl-1-oxidanylidene-7-pentoxycarbonyl-8-phenyl-decane-2,3,4,5-tetracarboxylate Openeye Name: tetrasodium 1-hydroxy-2-methyl-1-oxo-7-pentoxycarbonyl-8-phenyl-decane-2,3,4,5-tetracarboxylate CAS Name: tetrasodium 1-hydroxy-2-methyl-1-oxo-7-[oxo(pentoxy)methyl]-8-phenyldecane-2,3,4,5-tetracarboxylate IUPAC Name: tetrasodium 1-hydroxy-2-methyl-1-oxo-7-pentoxycarbonyl-8-phenyldecane-2,3,4,5-tetracarboxylate Traditional Name: tetrasodium 7-amoxycarbonyl-1-hydroxy-1-keto-2-methyl-8-phenyl-decane-2,3,4,5-tetracarboxylate Formula: C27H32Na4O12 MolecularWeight: 640.49486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=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

CCCCCOC(=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/C27H36O12.4Na/c1-4-6-10-13-39-27(38)18(16(5-2)15-11-8-7-9-12-15)20(25(34)35)21(26(36)37)19(24(32)33)17(23(30)31)14(3)22(28)29;;;;/h7-9,11-12,14,16-21H,4-6,10,13H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37);;;;/q;4*+1/p-4