4-[(6-chloranyl-1,2-dihydro-1,2,3-triazin-5-yl)imino]-3-oxidanylidene-naphthalene-1,2-disulfonic acid

Systemtic Name: 4-[(6-chloranyl-1,2-dihydro-1,2,3-triazin-5-yl)imino]-3-oxidanylidene-naphthalene-1,2-disulfonic acid Openeye Name: 4-[(6-chloro-1,2-dihydrotriazin-5-yl)imino]-3-oxo-naphthalene-1,2-disulfonic acid CAS Name: 4-[(6-chloro-1,2-dihydrotriazin-5-yl)imino]-3-oxonaphthalene-1,2-disulfonic acid IUPAC Name: 4-[(6-chloro-1,2-dihydrotriazin-5-yl)imino]-3-oxonaphthalene-1,2-disulfonic acid Traditional Name: 4-[(6-chloro-1,2-dihydrotriazin-5-yl)imino]-3-keto-naphthalene-1,2-disulfonic acid Formula: C13H9ClN4O7S2 MolecularWeight: 432.81616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)C2=NC3=C(NNN=C3)Cl)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)C2=NC3=C(NNN=C3)Cl)S(=O)(=O)O)S(=O)(=O)O

InChI

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