3-chloranyl-4-(1,3,5-triazin-2-ylamino)naphthalene-1-sulfonic acid

Systemtic Name: 3-chloranyl-4-(1,3,5-triazin-2-ylamino)naphthalene-1-sulfonic acid Openeye Name: 3-chloro-4-(1,3,5-triazin-2-ylamino)naphthalene-1-sulfonic acid CAS Name: 3-chloro-4-(1,3,5-triazin-2-ylamino)-1-naphthalenesulfonic acid IUPAC Name: 3-chloro-4-(1,3,5-triazin-2-ylamino)naphthalene-1-sulfonic acid Traditional Name: 3-chloro-4-(s-triazin-2-ylamino)naphthalene-1-sulfonic acid Formula: C13H9ClN4O3S MolecularWeight: 336.75356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2NC3=NC=NC=N3)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2NC3=NC=NC=N3)Cl)S(=O)(=O)O

InChI

InChI=1S/C13H9ClN4O3S/c14-10-5-11(22(19,20)21)8-3-1-2-4-9(8)12(10)18-13-16-6-15-7-17-13/h1-7H,(H,19,20,21)(H,15,16,17,18)