5-[(4-azanyl-5-methoxy-2-methyl-phenyl)hydrazinylidene]-2-oxidanylidene-cyclohexa-3,6-diene-1,3-disulfonic acid

Systemtic Name: 5-[(4-azanyl-5-methoxy-2-methyl-phenyl)hydrazinylidene]-2-oxidanylidene-cyclohexa-3,6-diene-1,3-disulfonic acid Openeye Name: 5-[(4-amino-5-methoxy-2-methyl-phenyl)hydrazono]-2-oxo-cyclohexa-3,6-diene-1,3-disulfonic acid CAS Name: 5-[(4-amino-5-methoxy-2-methylphenyl)hydrazinylidene]-2-oxocyclohexa-3,6-diene-1,3-disulfonic acid IUPAC Name: 5-[(4-amino-5-methoxy-2-methylphenyl)hydrazinylidene]-2-oxocyclohexa-3,6-diene-1,3-disulfonic acid Traditional Name: 5-[(4-amino-5-methoxy-2-methyl-phenyl)hydrazono]-2-keto-cyclohexa-3,6-diene-1,3-disulfonic acid Formula: C14H15N3O8S2 MolecularWeight: 417.4142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NN=C2C=C(C(=O)C(=C2)S(=O)(=O)O)S(=O)(=O)O)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1NN=C2C=C(C(=O)C(=C2)S(=O)(=O)O)S(=O)(=O)O)OC)N

InChI

InChI=1S/C14H15N3O8S2/c1-7-3-9(15)11(25-2)6-10(7)17-16-8-4-12(26(19,20)21)14(18)13(5-8)27(22,23)24/h3-6,17H,15H2,1-2H3,(H,19,20,21)(H,22,23,24)