NSC 45616

Molecular Formula: C₃₁H₁₉N₄Na₃O₁₂S₃

InChI: InChI=1/C31H22N4O12S3.3Na/c36-27-15-24(49(42,43)44)13-18-10-20(4-7-25(18)27)32-31(38)33-21-5-8-26-19(11-21)14-28(50(45,46)47)29(30(26)37)35-34-22-3-1-17-12-23(48(39,40)41)6-2-16(17)9-22;;;/h1-15,34,36H,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b35-29-;;;/fC31H19N4O12S3.3Na/h32-33H;;;/q-3;3m

InChIKey: InChIKey=IRBMBJPRNWNGBZ-FJQQVNOGDQ
SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC(=O)NC5=CC6=CC(=CC(=C6C=C5)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Names:
    NSC 45616
    trisodium (3Z)-7-[(5-hydroxy-7-sulfonato-naphthalen-2-yl)carbamoylamino]-4-oxo-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate
    2-Naphthalenesulfonic acid, 3-((6-sulfo-2-naphthyl)azo)-7,7'-ureylenebis(4-hydroxy-, trisodium salt (8CI)
    2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-, trisodium salt
    6330-95-6

Registries:
    PubChem CID 9571110
    PubChem ID 215265