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

Systemtic Name: dilithium disodium 3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonate Openeye Name: dilithium disodium 3-[4-[[4-[(4,8-disulfonato-2-naphthyl)azo]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,5-disulfonate CAS Name: dilithium disodium 3-[4-[[[4-[(4,8-disulfonato-2-naphthalenyl)azo]-2-methoxy-5-methylanilino]-oxomethyl]amino]-5-methoxy-2-methylphenyl]azonaphthalene-1,5-disulfonate IUPAC Name: dilithium disodium 3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate Traditional Name: dilithium disodium 3-[4-[[4-[(4,8-disulfonato-2-naphthyl)azo]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,5-disulfonate Formula: C37H28Li2N6Na2O15S4 MolecularWeight: 984.77096

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+]

Isomeric SMILES

[Li+].[Li+].CC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+]

InChI

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