(6E)-6-[[5-(aminomethyl)-1-sulfo-naphthalen-2-yl]hydrazinylidene]-4-benzamido-7-methyl-5-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (6E)-6-[[5-(aminomethyl)-1-sulfo-naphthalen-2-yl]hydrazinylidene]-4-benzamido-7-methyl-5-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (6E)-6-[[5-(aminomethyl)-1-sulfo-2-naphthyl]hydrazono]-4-benzamido-7-methyl-5-oxo-naphthalene-1-sulfonic acid CAS Name: (6E)-6-[[5-(aminomethyl)-1-sulfo-2-naphthalenyl]hydrazinylidene]-4-benzamido-7-methyl-5-oxo-1-naphthalenesulfonic acid IUPAC Name: (6E)-6-[[5-(aminomethyl)-1-sulfonaphthalen-2-yl]hydrazinylidene]-4-benzamido-7-methyl-5-oxonaphthalene-1-sulfonic acid Traditional Name: (6E)-6-[[5-(aminomethyl)-1-sulfo-2-naphthyl]hydrazono]-4-benzamido-5-keto-7-methyl-naphthalene-1-sulfonic acid Formula: C29H24N4O8S2 MolecularWeight: 620.65286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2C(=O)C1=NNC3=C(C4=C(C=C3)C(=CC=C4)CN)S(=O)(=O)O)NC(=O)C5=CC=CC=C5)S(=O)(=O)O

Isomeric SMILES

CC\1=CC2=C(C=CC(=C2C(=O)/C1=N/NC3=C(C4=C(C=C3)C(=CC=C4)CN)S(=O)(=O)O)NC(=O)C5=CC=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C29H24N4O8S2/c1-16-14-21-24(42(36,37)38)13-12-22(31-29(35)17-6-3-2-4-7-17)25(21)27(34)26(16)33-32-23-11-10-19-18(15-30)8-5-9-20(19)28(23)43(39,40)41/h2-14,32H,15,30H2,1H3,(H,31,35)(H,36,37,38)(H,39,40,41)/b33-26+