3-[(2E)-2-[6-[[(6E)-6-[(3-carboxyphenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]benzoic acid

Systemtic Name: 3-[(2E)-2-[6-[[(6E)-6-[(3-carboxyphenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]benzoic acid Openeye Name: 3-[(2E)-2-[6-[[(6E)-6-[(3-carboxyphenyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]benzoic acid CAS Name: 3-[(2E)-2-[6-[[[[(6E)-6-[(3-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]benzoic acid IUPAC Name: 3-[(2E)-2-[6-[[(6E)-6-[(3-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid Traditional Name: 3-[(N'E)-N'-[6-[[(6E)-6-[(3-carboxyphenyl)hydrazono]-5-keto-7-sulfo-2-naphthyl]carbamoylamino]-1-keto-3-sulfo-2-naphthylidene]hydrazino]benzoic acid Formula: C35H24N6O13S2 MolecularWeight: 800.72746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)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=CC(=C6)C(=O)O)/C(=C5)S(=O)(=O)O)C=C4)C(=O)O

InChI

InChI=1S/C35H24N6O13S2/c42-31-25-9-7-21(13-19(25)15-27(55(49,50)51)29(31)40-38-23-5-1-3-17(11-23)33(44)45)36-35(48)37-22-8-10-26-20(14-22)16-28(56(52,53)54)30(32(26)43)41-39-24-6-2-4-18(12-24)34(46)47/h1-16,38-39H,(H,44,45)(H,46,47)(H2,36,37,48)(H,49,50,51)(H,52,53,54)/b40-29-,41-30-