(3E)-5-acetamido-3-[[3-(2-azanylethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3E)-5-acetamido-3-[[3-(2-azanylethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3E)-5-acetamido-3-[[3-(2-aminoethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3E)-5-acetamido-3-[[3-(2-aminoethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3E)-5-acetamido-3-[[3-(2-aminoethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3E)-5-acetamido-4-keto-3-[(3-taurylphenyl)hydrazono]naphthalene-2,7-disulfonic acid Formula: C20H20N4O10S3 MolecularWeight: 572.5886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=CC(=CC=C3)S(=O)(=O)CCN)C2=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(/C(=N/NC3=CC(=CC=C3)S(=O)(=O)CCN)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C20H20N4O10S3/c1-11(25)22-16-10-15(36(29,30)31)7-12-8-17(37(32,33)34)19(20(26)18(12)16)24-23-13-3-2-4-14(9-13)35(27,28)6-5-21/h2-4,7-10,23H,5-6,21H2,1H3,(H,22,25)(H,29,30,31)(H,32,33,34)/b24-19-