(6Z)-6-[[5-(aminomethyl)-1-sulfo-naphthalen-2-yl]hydrazinylidene]-4-benzamido-5-oxidanylidene-naphthalene-1,7-disulfonic acid

Systemtic Name: (6Z)-6-[[5-(aminomethyl)-1-sulfo-naphthalen-2-yl]hydrazinylidene]-4-benzamido-5-oxidanylidene-naphthalene-1,7-disulfonic acid Openeye Name: (6Z)-6-[[5-(aminomethyl)-1-sulfo-2-naphthyl]hydrazono]-4-benzamido-5-oxo-naphthalene-1,7-disulfonic acid CAS Name: (6Z)-6-[[5-(aminomethyl)-1-sulfo-2-naphthalenyl]hydrazinylidene]-4-benzamido-5-oxonaphthalene-1,7-disulfonic acid IUPAC Name: (6Z)-6-[[5-(aminomethyl)-1-sulfonaphthalen-2-yl]hydrazinylidene]-4-benzamido-5-oxonaphthalene-1,7-disulfonic acid Traditional Name: (6Z)-6-[[5-(aminomethyl)-1-sulfo-2-naphthyl]hydrazono]-4-benzamido-5-keto-naphthalene-1,7-disulfonic acid Formula: C28H22N4O11S3 MolecularWeight: 686.68948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=C(C(=NNC4=C(C5=C(C=C4)C(=CC=C5)CN)S(=O)(=O)O)C3=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=C(/C(=N\NC4=C(C5=C(C=C4)C(=CC=C5)CN)S(=O)(=O)O)/C3=O)S(=O)(=O)O

InChI

InChI=1S/C28H22N4O11S3/c29-14-16-7-4-8-18-17(16)9-10-21(27(18)46(41,42)43)31-32-25-23(45(38,39)40)13-19-22(44(35,36)37)12-11-20(24(19)26(25)33)30-28(34)15-5-2-1-3-6-15/h1-13,31H,14,29H2,(H,30,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)/b32-25+