(3E)-3-[(2-methyl-4-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-7-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-3-[(2-methyl-4-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-7-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid Openeye Name: (3E)-7-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]-3-[(2-methyl-4-sulfo-phenyl)hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]amino]-3-[(2-methyl-4-sulfophenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-3-[(2-methyl-4-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-7-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]-4-keto-3-[(2-methyl-4-sulfo-phenyl)hydrazono]naphthalene-2-sulfonic acid Formula: C28H22N4O12S3 MolecularWeight: 702.68888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H22N4O12S3/c1-14-8-19(45(36,37)38)4-7-23(14)31-32-26-25(47(42,43)44)12-16-10-18(3-6-22(16)27(26)34)30-28(35)29-17-2-5-21-15(9-17)11-20(13-24(21)33)46(39,40)41/h2-13,31,33H,1H3,(H2,29,30,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)/b32-26-