tetrasodium 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: tetrasodium 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: tetrasodium 7-[4-[[4-[(6,8-disulfonato-2-naphthyl)azo]-5-methoxy-2-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,3-disulfonate CAS Name: tetrasodium 7-[4-[[[4-[(6,8-disulfonato-2-naphthalenyl)azo]-5-methoxy-2-methylanilino]-oxomethyl]amino]-5-methoxy-2-methylphenyl]azonaphthalene-1,3-disulfonate IUPAC Name: tetrasodium 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: tetrasodium 7-[4-[[4-[(6,8-disulfonato-2-naphthyl)azo]-5-methoxy-2-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,3-disulfonate Formula: C37H28N6Na4O15S4 MolecularWeight: 1016.8685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=CC(=C(C=C4C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=CC(=C(C=C4C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C37H32N6O15S4.4Na/c1-19-10-32(43-41-24-8-6-22-12-26(60(48,49)50)16-36(28(22)14-24)62(54,55)56)34(58-4)17-29(19)38-37(44)39-31-9-20(2)30(18-33(31)57-3)42-40-23-7-5-21-11-25(59(45,46)47)15-35(27(21)13-23)61(51,52)53;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4