7-[[4-chloranyl-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[4-chloranyl-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[[4-chloro-6-(cyanoamino)-s-triazin-2-yl]amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C14H9ClN6O4S MolecularWeight: 392.77706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC3=NC(=NC(=N3)NC#N)Cl)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC3=NC(=NC(=N3)NC#N)Cl)S(=O)(=O)O)O

InChI

InChI=1S/C14H9ClN6O4S/c15-12-19-13(17-6-16)21-14(20-12)18-8-1-2-10-7(3-8)4-9(5-11(10)22)26(23,24)25/h1-5,22H,(H,23,24,25)(H2,17,18,19,20,21)