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

Systemtic Name: 5-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 5-[(4-amino-6-chloro-s-triazin-2-yl)amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C13H10ClN5O4S MolecularWeight: 367.7676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC(=C2C(=C1)NC3=NC(=NC(=N3)N)Cl)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC(=C2C(=C1)NC3=NC(=NC(=N3)N)Cl)O)S(=O)(=O)O

InChI

InChI=1S/C13H10ClN5O4S/c14-11-17-12(15)19-13(18-11)16-8-3-1-2-6-4-7(24(21,22)23)5-9(20)10(6)8/h1-5,20H,(H,21,22,23)(H3,15,16,17,18,19)