pentasodium 3-azanyl-4-[[4-[4-[(2-azanyl-3,6-disulfonato-naphthalen-1-yl)diazenyl]-3-sulfonato-phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: pentasodium 3-azanyl-4-[[4-[4-[(2-azanyl-3,6-disulfonato-naphthalen-1-yl)diazenyl]-3-sulfonato-phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate Openeye Name: pentasodium 3-amino-4-[4-[4-[(2-amino-3,6-disulfonato-1-naphthyl)azo]-3-sulfonato-phenyl]phenyl]azo-naphthalene-2,7-disulfonate CAS Name: pentasodium 3-amino-4-[4-[4-[(2-amino-3,6-disulfonato-1-naphthalenyl)azo]-3-sulfonatophenyl]phenyl]azonaphthalene-2,7-disulfonate IUPAC Name: pentasodium 3-amino-4-[[4-[4-[(2-amino-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3-sulfonatophenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate Traditional Name: pentasodium 3-amino-4-[4-[4-[(2-amino-3,6-disulfonato-1-naphthyl)azo]-3-sulfonato-phenyl]phenyl]azo-naphthalene-2,7-disulfonate Formula: C32H19N6Na5O15S5 MolecularWeight: 1002.79831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C32H24N6O15S5.5Na/c33-29-27(57(48,49)50)14-18-11-21(54(39,40)41)6-8-23(18)31(29)37-35-20-4-1-16(2-5-20)17-3-10-25(26(13-17)56(45,46)47)36-38-32-24-9-7-22(55(42,43)44)12-19(24)15-28(30(32)34)58(51,52)53;;;;;/h1-15H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5