sodium 4-[(2E)-2-[6-[[(6E)-6-[(2-methyl-4-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]benzoate

Systemtic Name: sodium 4-[(2E)-2-[6-[[(6E)-6-[(2-methyl-4-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]benzoate Openeye Name: sodium 4-[(2E)-2-[6-[[(6E)-6-[(2-methyl-4-sulfo-phenyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]benzoate CAS Name: sodium 4-[(2E)-2-[6-[[[[(6E)-6-[(2-methyl-4-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]benzoate IUPAC Name: sodium 4-[(2E)-2-[6-[[(6E)-6-[(2-methyl-4-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoate Traditional Name: sodium 4-[(N'E)-N'-[1-keto-6-[[(6E)-5-keto-6-[(2-methyl-4-sulfo-phenyl)hydrazono]-7-sulfo-2-naphthyl]carbamoylamino]-3-sulfo-2-naphthylidene]hydrazino]benzoate Formula: C35H25N6NaO14S3 MolecularWeight: 872.78957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=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)C(=O)[O-])C(=C5)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)/C(=N\NC6=CC=C(C=C6)C(=O)[O-])/C(=C5)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C35H26N6O14S3.Na/c1-17-12-24(56(47,48)49)8-11-27(17)39-41-31-29(58(53,54)55)16-20-14-23(7-10-26(20)33(31)43)37-35(46)36-22-6-9-25-19(13-22)15-28(57(50,51)52)30(32(25)42)40-38-21-4-2-18(3-5-21)34(44)45;/h2-16,38-39H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);/q;+1/p-1/b40-30-,41-31-;