(3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3Z)-6-acetamido-4-keto-3-[[4-methoxy-3-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C21H21N3O12S3 MolecularWeight: 603.59934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C=C(C(=NNC3=CC(=C(C=C3)OC)S(=O)(=O)CCOS(=O)(=O)O)C2=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(/C(=N\NC3=CC(=C(C=C3)OC)S(=O)(=O)CCOS(=O)(=O)O)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C21H21N3O12S3/c1-12(25)22-14-4-3-13-9-19(38(29,30)31)20(21(26)16(13)10-14)24-23-15-5-6-17(35-2)18(11-15)37(27,28)8-7-36-39(32,33)34/h3-6,9-11,23H,7-8H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)/b24-20+