disodium 7-[[4-[[4-[(4-benzamidophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: disodium 7-[[4-[[4-[(4-benzamidophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: disodium 7-[4-[4-[(4-benzamidobenzoyl)amino]-2-methyl-phenyl]azophenyl]azonaphthalene-1,3-disulfonate CAS Name: disodium 7-[4-[4-[[(4-benzamidophenyl)-oxomethyl]amino]-2-methylphenyl]azophenyl]azonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-[[4-[[4-[(4-benzamidobenzoyl)amino]-2-methylphenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: disodium 7-[4-[4-[(4-benzamidobenzoyl)amino]-2-methyl-phenyl]azophenyl]azonaphthalene-1,3-disulfonate Formula: C37H26N6Na2O8S2 MolecularWeight: 792.74728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)N=NC4=CC=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)N=NC4=CC=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C37H28N6O8S2.2Na/c1-23-19-30(39-37(45)25-7-10-27(11-8-25)38-36(44)24-5-3-2-4-6-24)17-18-34(23)43-41-29-15-13-28(14-16-29)40-42-31-12-9-26-20-32(52(46,47)48)22-35(33(26)21-31)53(49,50)51;;/h2-22H,1H3,(H,38,44)(H,39,45)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2