disodium 4-methanoylbenzene-1,3-disulfonate hydrate

Systemtic Name: disodium 4-methanoylbenzene-1,3-disulfonate hydrate Openeye Name: disodium 4-formylbenzene-1,3-disulfonate hydrate CAS Name: disodium 4-formylbenzene-1,3-disulfonate hydrate IUPAC Name: disodium 4-formylbenzene-1,3-disulfonate hydrate Traditional Name: disodium 4-formylbenzene-1,3-disulfonate hydrate Formula: C7H6Na2O8S2 MolecularWeight: 328.22728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])C=O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])C=O.O.[Na+].[Na+]

InChI

InChI=1S/C7H6O7S2.2Na.H2O/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;;;/h1-4H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2