disodium; benzene; but-3-yne-1,2-diol; hydrogen phosphate; methanol

Systemtic Name: disodium; benzene; but-3-yne-1,2-diol; hydrogen phosphate; methanol Openeye Name: disodium; benzene; but-3-yne-1,2-diol; hydrogen phosphate; methanol CAS Name: disodium; benzene; 3-butyne-1,2-diol; hydrogen phosphate; methanol IUPAC Name: disodium; benzene; but-3-yne-1,2-diol; hydrogen phosphate; methanol Traditional Name: disodium; benzene; but-3-yne-1,2-diol; hydrogen phosphate; methanol Formula: C11H17Na2O7P MolecularWeight: 338.201781

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Descriptors Computed from Structure

Canonical SMILES:

CO.C#CC(CO)O.C1=CC=CC=C1.OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CO.C#CC(CO)O.C1=CC=CC=C1.OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C6H6.C4H6O2.CH4O.2Na.H3O4P/c1-2-4-6-5-3-1;1-2-4(6)3-5;1-2;;;1-5(2,3)4/h1-6H;1,4-6H,3H2;2H,1H3;;;(H3,1,2,3,4)/q;;;2*+1;/p-2