3-[[2,4-bis(azanyl)-3-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[2,4-bis(azanyl)-3-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-(2,4-diamino-3-methyl-phenyl)azonaphthalene-1,5-disulfonic acid CAS Name: 3-(2,4-diamino-3-methylphenyl)azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[(2,4-diamino-3-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-(2,4-diamino-3-methyl-phenyl)azonaphthalene-1,5-disulfonic acid Formula: C17H16N4O6S2 MolecularWeight: 436.46214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1N)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C17H16N4O6S2/c1-9-13(18)5-6-14(17(9)19)21-20-10-7-12-11(16(8-10)29(25,26)27)3-2-4-15(12)28(22,23)24/h2-8H,18-19H2,1H3,(H,22,23,24)(H,25,26,27)