disodium (3Z)-5-ethoxy-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-ethoxy-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-ethoxy-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-ethoxy-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-ethoxy-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-ethoxy-4-keto-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C26H19N3Na2O8S3 MolecularWeight: 643.6189

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=NNC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C)C2=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCOC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(/C(=N\NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C)/C2=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H21N3O8S3.2Na/c1-3-37-20-13-18(39(31,32)33)11-16-12-22(40(34,35)36)24(25(30)23(16)20)29-28-17-7-5-15(6-8-17)26-27-19-9-4-14(2)10-21(19)38-26;;/h4-13,28H,3H2,1-2H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/b29-24+;;