2-azanyl-5-ethyl-benzene-1,4-disulfonic acid; 2-azanyl-5-methyl-benzene-1,4-disulfonic acid

Systemtic Name: 2-azanyl-5-ethyl-benzene-1,4-disulfonic acid; 2-azanyl-5-methyl-benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-ethyl-benzene-1,4-disulfonic acid; 2-amino-5-methyl-benzene-1,4-disulfonic acid CAS Name: 2-amino-5-ethylbenzene-1,4-disulfonic acid; 2-amino-5-methylbenzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-ethylbenzene-1,4-disulfonic acid; 2-amino-5-methylbenzene-1,4-disulfonic acid Traditional Name: 2-amino-5-ethyl-benzene-1,4-disulfonic acid; 2-amino-5-methyl-benzene-1,4-disulfonic acid Formula: C15H20N2O12S4 MolecularWeight: 548.5855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O.CC1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O.CC1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C8H11NO6S2.C7H9NO6S2/c1-2-5-3-8(17(13,14)15)6(9)4-7(5)16(10,11)12;1-4-2-7(16(12,13)14)5(8)3-6(4)15(9,10)11/h3-4H,2,9H2,1H3,(H,10,11,12)(H,13,14,15);2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14)