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

Systemtic Name: 3-[[4-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-2,5-dimethyl-phenyl]carbamoylamino]-2,5-dimethyl-phenyl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[4-[[4-[(4,8-disulfo-2-naphthyl)azo]-2,5-dimethyl-phenyl]carbamoylamino]-2,5-dimethyl-phenyl]azonaphthalene-1,5-disulfonic acid CAS Name: 3-[4-[[[4-[(4,8-disulfo-2-naphthalenyl)azo]-2,5-dimethylanilino]-oxomethyl]amino]-2,5-dimethylphenyl]azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[4-[[4-[(4,8-disulfo-2-naphthyl)azo]-2,5-dimethyl-phenyl]carbamoylamino]-2,5-dimethyl-phenyl]azonaphthalene-1,5-disulfonic acid Formula: C37H32N6O13S4 MolecularWeight: 896.94238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2C)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)C)C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2C)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)C)C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C37H32N6O13S4/c1-19-13-31(42-40-23-15-27-25(35(17-23)59(51,52)53)7-5-9-33(27)57(45,46)47)21(3)11-29(19)38-37(44)39-30-12-22(4)32(14-20(30)2)43-41-24-16-28-26(36(18-24)60(54,55)56)8-6-10-34(28)58(48,49)50/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)