4-[(5-chloranyl-1,2,3-triazin-4-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(5-chloranyl-1,2,3-triazin-4-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(5-chlorotriazin-4-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[(5-chloro-4-triazinyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(5-chlorotriazin-4-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(5-chlorotriazin-4-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C13H9ClN4O7S2 MolecularWeight: 432.81616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC3=NN=NC=C3Cl)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC3=NN=NC=C3Cl)O)S(=O)(=O)O

InChI

InChI=1S/C13H9ClN4O7S2/c14-9-5-15-18-17-13(9)16-10-3-7(26(20,21)22)1-6-2-8(27(23,24)25)4-11(19)12(6)10/h1-5,19H,(H,15,16,17)(H,20,21,22)(H,23,24,25)