3-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[4-[[4-[(6,8-disulfo-2-naphthyl)azo]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]azonaphthalene-1,5-disulfonic acid CAS Name: 3-[4-[[[4-[(6,8-disulfo-2-naphthalenyl)azo]-3-methylanilino]-oxomethyl]amino]-2-methylphenyl]azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[4-[[4-[(6,8-disulfo-2-naphthyl)azo]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]azonaphthalene-1,5-disulfonic acid Formula: C35H28N6O13S4 MolecularWeight: 868.88922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C35H28N6O13S4/c1-19-12-22(8-10-30(19)40-38-24-7-6-21-14-26(55(43,44)45)18-34(28(21)15-24)58(52,53)54)36-35(42)37-23-9-11-31(20(2)13-23)41-39-25-16-29-27(33(17-25)57(49,50)51)4-3-5-32(29)56(46,47)48/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)