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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC3=NC(=NC=N3)Cl)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC3=NC(=NC=N3)Cl)O)S(=O)(=O)O

InChI

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