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

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

Systemtic Name:hexasodium 3-azanyl-4-[[4-[(E)-2-[4-[(2-azanyl-3,6-disulfonato-naphthalen-1-yl)diazenyl]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]diazenyl]naphthalene-2,6-disulfonate
Openeye Name:hexasodium 3-amino-4-[4-[(E)-2-[4-[(2-amino-3,6-disulfonato-1-naphthyl)azo]-2-sulfonato-phenyl]vinyl]-3-sulfonato-phenyl]azo-naphthalene-2,6-disulfonate
CAS Name:hexasodium 3-amino-4-[4-[(E)-2-[4-[(2-amino-3,6-disulfonato-1-naphthalenyl)azo]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]azonaphthalene-2,6-disulfonate
IUPAC Name:hexasodium 3-amino-4-[[4-[(E)-2-[4-[(2-amino-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-2,6-disulfonate
Traditional Name:hexasodium 3-amino-4-[4-[(E)-2-[4-[(2-amino-3,6-disulfonato-1-naphthyl)azo]-2-sulfonato-phenyl]vinyl]-3-sulfonato-phenyl]azo-naphthalene-2,6-disulfonate
Formula: C34H20N6Na6O18S6
MolecularWeight: 1130.88062
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C(=C(C=C21)S(=O)(=O)[O-])N)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]


Isomeric SMILES

C1=CC(=CC2=C(C(=C(C=C21)S(=O)(=O)[O-])N)N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]


InChI

InChI=1S/C34H26N6O18S6.6Na/c35-31-30(64(56,57)58)13-20-11-23(59(41,42)43)9-10-25(20)33(31)39-37-21-6-3-17(27(14-21)61(47,48)49)1-2-18-4-7-22(15-28(18)62(50,51)52)38-40-34-26-16-24(60(44,45)46)8-5-19(26)12-29(32(34)36)63(53,54)55;;;;;;/h1-16H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;;/q;6*+1/p-6/b2-1+,39-37?,40-38?;;;;;;


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