(3E)-3-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-5-benzamido-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3E)-3-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-5-benzamido-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3E)-3-[(5-amino-2-sulfo-phenyl)hydrazono]-5-benzamido-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3E)-3-[(5-amino-2-sulfophenyl)hydrazinylidene]-5-benzamido-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3E)-3-[(5-amino-2-sulfophenyl)hydrazinylidene]-5-benzamido-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3E)-3-[(5-amino-2-sulfo-phenyl)hydrazono]-5-benzamido-4-keto-naphthalene-2,7-disulfonic acid Formula: C23H18N4O11S3 MolecularWeight: 622.60422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O11S3/c24-14-6-7-18(40(33,34)35)16(10-14)26-27-21-19(41(36,37)38)9-13-8-15(39(30,31)32)11-17(20(13)22(21)28)25-23(29)12-4-2-1-3-5-12/h1-11,26H,24H2,(H,25,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)/b27-21-