(3E)-4-oxidanylidene-7-[[(6E)-5-oxidanylidene-6-[[4-(phosphonomethyl)phenyl]hydrazinylidene]-7-sulfo-naphthalen-2-yl]carbamoylamino]-3-[[4-(phosphonomethyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-4-oxidanylidene-7-[[(6E)-5-oxidanylidene-6-[[4-(phosphonomethyl)phenyl]hydrazinylidene]-7-sulfo-naphthalen-2-yl]carbamoylamino]-3-[[4-(phosphonomethyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3E)-4-oxo-7-[[(6E)-5-oxo-6-[[4-(phosphonomethyl)phenyl]hydrazono]-7-sulfo-2-naphthyl]carbamoylamino]-3-[[4-(phosphonomethyl)phenyl]hydrazono]naphthalene-2-sulfonic acid CAS Name: (3E)-4-oxo-7-[[oxo-[[(6E)-5-oxo-6-[[4-(phosphonomethyl)phenyl]hydrazinylidene]-7-sulfo-2-naphthalenyl]amino]methyl]amino]-3-[[4-(phosphonomethyl)phenyl]hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (3E)-4-oxo-7-[[(6E)-5-oxo-6-[[4-(phosphonomethyl)phenyl]hydrazinylidene]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-[[4-(phosphonomethyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (3E)-4-keto-7-[[(6E)-5-keto-6-[[4-(phosphonomethyl)phenyl]hydrazono]-7-sulfo-2-naphthyl]carbamoylamino]-3-[[4-(phosphonomethyl)phenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C35H30N6O15P2S2 MolecularWeight: 900.721422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CP(=O)(O)O)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=CC=C(C=C6)CP(=O)(O)O)C(=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CP(=O)(O)O)N/N=C/2\C(=O)C3=C(C=C2S(=O)(=O)O)C=C(C=C3)NC(=O)NC4=CC5=C(C(=O)/C(=N\NC6=CC=C(C=C6)CP(=O)(O)O)/C(=C5)S(=O)(=O)O)C=C4

InChI

InChI=1S/C35H30N6O15P2S2/c42-33-27-11-9-25(13-21(27)15-29(59(51,52)53)31(33)40-38-23-5-1-19(2-6-23)17-57(45,46)47)36-35(44)37-26-10-12-28-22(14-26)16-30(60(54,55)56)32(34(28)43)41-39-24-7-3-20(4-8-24)18-58(48,49)50/h1-16,38-39H,17-18H2,(H2,36,37,44)(H2,45,46,47)(H2,48,49,50)(H,51,52,53)(H,54,55,56)/b40-31-,41-32-