nonyl 2-[(2E)-2-[4-methyl-2,6-bis(oxidanylidene)-5-pyridin-1-ium-1-yl-pyridin-1-ium-3-ylidene]hydrazinyl]benzoate dihydroxide

Systemtic Name: nonyl 2-[(2E)-2-[4-methyl-2,6-bis(oxidanylidene)-5-pyridin-1-ium-1-yl-pyridin-1-ium-3-ylidene]hydrazinyl]benzoate dihydroxide Openeye Name: nonyl 2-[(2E)-2-(4-methyl-2,6-dioxo-5-pyridin-1-ium-1-yl-pyridin-1-ium-3-ylidene)hydrazino]benzoate dihydroxide CAS Name: 2-[(2E)-2-[4-methyl-2,6-dioxo-5-(1-pyridin-1-iumyl)-3-pyridin-1-iumylidene]hydrazinyl]benzoic acid nonyl ester dihydroxide IUPAC Name: nonyl 2-[(2E)-2-(4-methyl-2,6-dioxo-5-pyridin-1-ium-1-ylpyridin-1-ium-3-ylidene)hydrazinyl]benzoate dihydroxide Traditional Name: 2-[(N'E)-N'-(2,6-diketo-4-methyl-5-pyridin-1-ium-1-yl-pyridin-1-ium-3-ylidene)hydrazino]benzoic acid nonyl ester dihydroxide Formula: C27H36N4O6 MolecularWeight: 512.59794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=CC=CC=C1NN=C2C(=C(C(=O)[NH2+]C2=O)[N+]3=CC=CC=C3)C.[OH-].[OH-]

Isomeric SMILES

CCCCCCCCCOC(=O)C1=CC=CC=C1N/N=C/2\C(=C(C(=O)[NH2+]C2=O)[N+]3=CC=CC=C3)C.[OH-].[OH-]

InChI

InChI=1S/C27H32N4O4.2H2O/c1-3-4-5-6-7-8-14-19-35-27(34)21-15-10-11-16-22(21)29-30-23-20(2)24(26(33)28-25(23)32)31-17-12-9-13-18-31;;/h9-13,15-18H,3-8,14,19H2,1-2H3,(H-,28,29,32,33,34);2*1H2