sodium 2-[[4-[[3-methyl-4-(phenylsulfonyloxy)phenyl]diazenyl]phenyl]amino]-5-nitro-benzenesulfonate

Systemtic Name: sodium 2-[[4-[[3-methyl-4-(phenylsulfonyloxy)phenyl]diazenyl]phenyl]amino]-5-nitro-benzenesulfonate Openeye Name: sodium 2-[4-[4-(benzenesulfonyloxy)-3-methyl-phenyl]azoanilino]-5-nitro-benzenesulfonate CAS Name: sodium 2-[4-[4-(benzenesulfonyloxy)-3-methylphenyl]azoanilino]-5-nitrobenzenesulfonate IUPAC Name: sodium 2-[4-[[4-(benzenesulfonyloxy)-3-methylphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate Traditional Name: sodium 2-[4-(4-besyloxy-3-methyl-phenyl)azoanilino]-5-nitro-besylate Formula: C25H19N4NaO8S2 MolecularWeight: 590.56013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-])OS(=O)(=O)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-])OS(=O)(=O)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C25H20N4O8S2.Na/c1-17-15-20(11-14-24(17)37-39(35,36)22-5-3-2-4-6-22)28-27-19-9-7-18(8-10-19)26-23-13-12-21(29(30)31)16-25(23)38(32,33)34;/h2-16,26H,1H3,(H,32,33,34);/q;+1/p-1