4-[(2E)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-methoxy-naphthalene-1-diazonium sulfate

Systemtic Name: 4-[(2E)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-methoxy-naphthalene-1-diazonium sulfate Openeye Name: 4-[(2E)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-methoxy-naphthalene-1-diazonium sulfate CAS Name: 4-[(2E)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-methoxy-1-naphthalenediazonium sulfate IUPAC Name: 4-[(2E)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-methoxynaphthalene-1-diazonium sulfate Traditional Name: 4-[(N'E)-N'-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-methoxy-naphthalene-1-diazonium sulfate Formula: C36H26N8O12S MolecularWeight: 794.70304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C(=C1)NN=C3C=CC(=O)C(=C3)C(=O)O)[N+]#N.COC1=C(C2=CC=CC=C2C(=C1)NN=C3C=CC(=O)C(=C3)C(=O)O)[N+]#N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C2=CC=CC=C2C(=C1)N/N=C\3/C=C(C(=O)C=C3)C(=O)O)[N+]#N.COC1=C(C2=CC=CC=C2C(=C1)N/N=C\3/C=C(C(=O)C=C3)C(=O)O)[N+]#N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C18H12N4O4.H2O4S/c2*1-26-16-9-14(11-4-2-3-5-12(11)17(16)20-19)22-21-10-6-7-15(23)13(8-10)18(24)25;1-5(2,3)4/h2*2-9H,1H3,(H-,22,23,24,25);(H2,1,2,3,4)