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

Systemtic Name: (6E)-4-benzamido-7-methyl-6-[[5-(methylaminomethyl)-2-sulfo-phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (6E)-4-benzamido-7-methyl-6-[[5-(methylaminomethyl)-2-sulfo-phenyl]hydrazono]-5-oxo-naphthalene-1-sulfonic acid CAS Name: (6E)-4-benzamido-7-methyl-6-[[5-(methylaminomethyl)-2-sulfophenyl]hydrazinylidene]-5-oxo-1-naphthalenesulfonic acid IUPAC Name: (6E)-4-benzamido-7-methyl-6-[[5-(methylaminomethyl)-2-sulfophenyl]hydrazinylidene]-5-oxonaphthalene-1-sulfonic acid Traditional Name: (6E)-4-benzamido-5-keto-7-methyl-6-[[5-(methylaminomethyl)-2-sulfo-phenyl]hydrazono]naphthalene-1-sulfonic acid Formula: C26H24N4O8S2 MolecularWeight: 584.62076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O8S2/c1-15-12-18-21(39(33,34)35)11-9-19(28-26(32)17-6-4-3-5-7-17)23(18)25(31)24(15)30-29-20-13-16(14-27-2)8-10-22(20)40(36,37)38/h3-13,27,29H,14H2,1-2H3,(H,28,32)(H,33,34,35)(H,36,37,38)/b30-24+