disodium 4-(oxidanylidenemethyl)benzene-1,3-disulfonate

Systemtic Name: disodium 4-(oxidanylidenemethyl)benzene-1,3-disulfonate Openeye Name: disodium 4-(oxomethyl)benzene-1,3-disulfonate CAS Name: disodium 4-(oxomethyl)benzene-1,3-disulfonate IUPAC Name: disodium 4-(oxomethyl)benzene-1,3-disulfonate Traditional Name: disodium 4-(ketomethyl)benzene-1,3-disulfonate Formula: C7H4Na2O7S2 MolecularWeight: 312.204542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])[14CH]=O.[Na+].[Na+]

InChI

InChI=1S/C7H6O7S2.2Na/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);;/q;2*+1/p-2/i4+2;;