disodium 2-acetamido-5-(methoxymethylamino)benzene-1,4-disulfonate

Systemtic Name: disodium 2-acetamido-5-(methoxymethylamino)benzene-1,4-disulfonate Openeye Name: disodium 2-acetamido-5-(methoxymethylamino)benzene-1,4-disulfonate CAS Name: disodium 2-acetamido-5-(methoxymethylamino)benzene-1,4-disulfonate IUPAC Name: disodium 2-acetamido-5-(methoxymethylamino)benzene-1,4-disulfonate Traditional Name: disodium 2-acetamido-5-(methoxymethylamino)benzene-1,4-disulfonate Formula: C10H12N2Na2O8S2 MolecularWeight: 398.32042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1S(=O)(=O)[O-])NCOC)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1S(=O)(=O)[O-])NCOC)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H14N2O8S2.2Na/c1-6(13)12-8-4-9(21(14,15)16)7(11-5-20-2)3-10(8)22(17,18)19;;/h3-4,11H,5H2,1-2H3,(H,12,13)(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2