disodium (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-6-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3Z)-6-acetamido-4-keto-3-[[4-methoxy-3-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonate Formula: C21H19N3Na2O12S3 MolecularWeight: 647.563

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C21H21N3O12S3.2Na/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);;/q;2*+1/p-2/b24-20+;;