5-oxidanyl-4-(1,3,5-triazin-2-ylamino)naphthalene-1,7-disulfonic acid

Systemtic Name: 5-oxidanyl-4-(1,3,5-triazin-2-ylamino)naphthalene-1,7-disulfonic acid Openeye Name: 5-hydroxy-4-(1,3,5-triazin-2-ylamino)naphthalene-1,7-disulfonic acid CAS Name: 5-hydroxy-4-(1,3,5-triazin-2-ylamino)naphthalene-1,7-disulfonic acid IUPAC Name: 5-hydroxy-4-(1,3,5-triazin-2-ylamino)naphthalene-1,7-disulfonic acid Traditional Name: 5-hydroxy-4-(s-triazin-2-ylamino)naphthalene-1,7-disulfonic acid Formula: C13H10N4O7S2 MolecularWeight: 398.3711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1NC3=NC=NC=N3)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1NC3=NC=NC=N3)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H10N4O7S2/c18-10-4-7(25(19,20)21)3-8-11(26(22,23)24)2-1-9(12(8)10)17-13-15-5-14-6-16-13/h1-6,18H,(H,19,20,21)(H,22,23,24)(H,14,15,16,17)