(3E)-3-[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-6-(phenoxymethylamino)-7-sulfo-naphthalene-2-carboperoxoic acid

Systemtic Name: (3E)-3-[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-6-(phenoxymethylamino)-7-sulfo-naphthalene-2-carboperoxoic acid Openeye Name: (3E)-3-[(4-methyl-2-sulfo-phenyl)hydrazono]-4-oxo-6-(phenoxymethylamino)-7-sulfo-naphthalene-2-carboperoxoic acid CAS Name: (3E)-3-[(4-methyl-2-sulfophenyl)hydrazinylidene]-4-oxo-6-(phenoxymethylamino)-7-sulfo-2-naphthalenecarboperoxoic acid IUPAC Name: (3E)-3-[(4-methyl-2-sulfophenyl)hydrazinylidene]-4-oxo-6-(phenoxymethylamino)-7-sulfonaphthalene-2-carboperoxoic acid Traditional Name: (3E)-4-keto-3-[(4-methyl-2-sulfo-phenyl)hydrazono]-6-(phenoxymethylamino)-7-sulfo-naphthalene-2-carboperoxoic acid Formula: C25H21N3O11S2 MolecularWeight: 603.57774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=CC3=CC(=C(C=C3C2=O)NCOC4=CC=CC=C4)S(=O)(=O)O)C(=O)OO)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C=C3C2=O)NCOC4=CC=CC=C4)S(=O)(=O)O)C(=O)OO)S(=O)(=O)O

InChI

InChI=1S/C25H21N3O11S2/c1-14-7-8-19(21(9-14)40(32,33)34)27-28-23-18(25(30)39-31)10-15-11-22(41(35,36)37)20(12-17(15)24(23)29)26-13-38-16-5-3-2-4-6-16/h2-12,26-27,31H,13H2,1H3,(H,32,33,34)(H,35,36,37)/b28-23+