disodium 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]-3-chloranyl-phenyl]-2-chloranyl-phenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]-3-chloranyl-phenyl]-2-chloranyl-phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-3-chloro-phenyl]-2-chloro-phenyl]azo-naphthalene-1-sulfonate CAS Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthalenyl)azo]-3-chlorophenyl]-2-chlorophenyl]azo-1-naphthalenesulfonate IUPAC Name: disodium 4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-3-chloro-phenyl]-2-chloro-phenyl]azo-naphthalene-1-sulfonate Formula: C32H20Cl2N6Na2O6S2 MolecularWeight: 765.55334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H22Cl2N6O6S2.2Na/c33-23-13-17(9-11-25(23)37-39-27-15-29(47(41,42)43)19-5-1-3-7-21(19)31(27)35)18-10-12-26(24(34)14-18)38-40-28-16-30(48(44,45)46)20-6-2-4-8-22(20)32(28)36;;/h1-16H,35-36H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2