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

Systemtic Name: 6-[(4-chloranyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-[(4-chloro-6-methoxy-s-triazin-2-yl)amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C14H11ClN4O5S MolecularWeight: 382.77894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)Cl

Isomeric SMILES

COC1=NC(=NC(=N1)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)Cl

InChI

InChI=1S/C14H11ClN4O5S/c1-24-14-18-12(15)17-13(19-14)16-8-3-2-7-4-9(25(21,22)23)6-11(20)10(7)5-8/h2-6,20H,1H3,(H,21,22,23)(H,16,17,18,19)