disodium 3-(6-azanyl-7-methoxy-3-methyl-1,2,4-benzotriazin-2-ium-2-yl)naphthalene-1,5-disulfonate

Systemtic Name: disodium 3-(6-azanyl-7-methoxy-3-methyl-1,2,4-benzotriazin-2-ium-2-yl)naphthalene-1,5-disulfonate Openeye Name: disodium 3-(6-amino-7-methoxy-3-methyl-1,2,4-benzotriazin-2-ium-2-yl)naphthalene-1,5-disulfonate CAS Name: disodium 3-(6-amino-7-methoxy-3-methyl-1,2,4-benzotriazin-2-ium-2-yl)naphthalene-1,5-disulfonate IUPAC Name: disodium 3-(6-amino-7-methoxy-3-methyl-1,2,4-benzotriazin-2-ium-2-yl)naphthalene-1,5-disulfonate Traditional Name: disodium 3-(6-amino-7-methoxy-3-methyl-1,2,4-benzotriazin-2-ium-2-yl)naphthalene-1,5-disulfonate Formula: C19H15N4Na2O7S2+ MolecularWeight: 521.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2N=[N+]1C3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[Na+]

Isomeric SMILES

CC1=NC2=CC(=C(C=C2N=[N+]1C3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[Na+]

InChI

InChI=1S/C19H16N4O7S2.2Na/c1-10-21-15-8-14(20)17(30-2)9-16(15)22-23(10)11-6-13-12(19(7-11)32(27,28)29)4-3-5-18(13)31(24,25)26;;/h3-9,20H,1-2H3,(H2,24,25,26,27,28,29);;/q;2*+1/p-1