tetrasodium 8-[(4-sulfonatophenyl)diazenyl]-5-[[4-[[4-[[6-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-2-sulfonate

Systemtic Name: tetrasodium 8-[(4-sulfonatophenyl)diazenyl]-5-[[4-[[4-[[6-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-2-sulfonate Openeye Name: tetrasodium 8-(4-sulfonatophenyl)azo-5-[4-[[4-[[6-sulfonato-4-(4-sulfonatophenyl)azo-1-naphthyl]azo]phenyl]carbamoylamino]phenyl]azo-naphthalene-2-sulfonate CAS Name: tetrasodium 5-[4-[[oxo-[4-[[6-sulfonato-4-(4-sulfonatophenyl)azo-1-naphthalenyl]azo]anilino]methyl]amino]phenyl]azo-8-(4-sulfonatophenyl)azo-2-naphthalenesulfonate IUPAC Name: tetrasodium 8-[(4-sulfonatophenyl)diazenyl]-5-[[4-[[4-[[6-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: tetrasodium 8-(4-sulfonatophenyl)azo-5-[4-[[4-[[6-sulfonato-4-(4-sulfonatophenyl)azo-1-naphthyl]azo]phenyl]carbamoylamino]phenyl]azo-naphthalene-2-sulfonate Formula: C45H28N10Na4O13S4 MolecularWeight: 1136.9821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C7C=CC(=CC7=C(C=C6)N=NC8=CC=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C7C=CC(=CC7=C(C=C6)N=NC8=CC=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C45H32N10O13S4.4Na/c56-45(46-27-1-5-29(6-2-27)48-52-41-21-23-43(39-25-35(71(63,64)65)17-19-37(39)41)54-50-31-9-13-33(14-10-31)69(57,58)59)47-28-3-7-30(8-4-28)49-53-42-22-24-44(40-26-36(72(66,67)68)18-20-38(40)42)55-51-32-11-15-34(16-12-32)70(60,61)62;;;;/h1-26H,(H2,46,47,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4