2-[(2E)-2-[6-[[(6E)-6-[(2-carboxy-4,5-dimethoxy-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[(2E)-2-[6-[[(6E)-6-[(2-carboxy-4,5-dimethoxy-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[(2E)-2-[6-[[(6E)-6-[(2-carboxy-4,5-dimethoxy-phenyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[(2E)-2-[6-[[[[(6E)-6-[(2-carboxy-4,5-dimethoxyphenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[(2E)-2-[6-[[(6E)-6-[(2-carboxy-4,5-dimethoxyphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]-4,5-dimethoxybenzoic acid Traditional Name: 2-[(N'E)-N'-[6-[[(6E)-6-[(2-carboxy-4,5-dimethoxy-phenyl)hydrazono]-5-keto-7-sulfo-2-naphthyl]carbamoylamino]-1-keto-3-sulfo-2-naphthylidene]hydrazino]-4,5-dimethoxy-benzoic acid Formula: C39H32N6O17S2 MolecularWeight: 920.83138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=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=C6C(=O)O)OC)OC)C(=C5)S(=O)(=O)O)S(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=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=C6C(=O)O)OC)OC)/C(=C5)S(=O)(=O)O)C=C4)OC

InChI

InChI=1S/C39H32N6O17S2/c1-59-27-13-23(37(48)49)25(15-29(27)61-3)42-44-33-31(63(53,54)55)11-17-9-19(5-7-21(17)35(33)46)40-39(52)41-20-6-8-22-18(10-20)12-32(64(56,57)58)34(36(22)47)45-43-26-16-30(62-4)28(60-2)14-24(26)38(50)51/h5-16,42-43H,1-4H3,(H,48,49)(H,50,51)(H2,40,41,52)(H,53,54,55)(H,56,57,58)/b44-33-,45-34-