(6Z)-2-acetamido-6-[[3-(2-azanylethylsulfonyl)phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonic acid

Systemtic Name: (6Z)-2-acetamido-6-[[3-(2-azanylethylsulfonyl)phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonic acid Openeye Name: (6Z)-2-acetamido-6-[[3-(2-aminoethylsulfonyl)phenyl]hydrazono]-5-oxo-naphthalene-1,7-disulfonic acid CAS Name: (6Z)-2-acetamido-6-[[3-(2-aminoethylsulfonyl)phenyl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonic acid IUPAC Name: (6Z)-2-acetamido-6-[[3-(2-aminoethylsulfonyl)phenyl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonic acid Traditional Name: (6Z)-2-acetamido-5-keto-6-[(3-taurylphenyl)hydrazono]naphthalene-1,7-disulfonic acid Formula: C20H20N4O10S3 MolecularWeight: 572.5886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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