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

Systemtic Name: 7-[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)-methyl-amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methyl-amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[(4-amino-6-chloro-s-triazin-2-yl)-methyl-amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C14H12ClN5O4S MolecularWeight: 381.79418

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=CC(=CC(=C2C=C1)O)S(=O)(=O)O)C3=NC(=NC(=N3)N)Cl

Isomeric SMILES

CN(C1=CC2=CC(=CC(=C2C=C1)O)S(=O)(=O)O)C3=NC(=NC(=N3)N)Cl

InChI

InChI=1S/C14H12ClN5O4S/c1-20(14-18-12(15)17-13(16)19-14)8-2-3-10-7(4-8)5-9(6-11(10)21)25(22,23)24/h2-6,21H,1H3,(H,22,23,24)(H2,16,17,18,19)