sodium 6-methyl-2-[4-[[(3E)-6-oxidanyl-4-oxidanylidene-3-(phenylhydrazinylidene)cyclohexa-1,5-dien-1-yl]diazenyl]phenyl]-1,3-benzothiazole-7-sulfonate

Systemtic Name: sodium 6-methyl-2-[4-[[(3E)-6-oxidanyl-4-oxidanylidene-3-(phenylhydrazinylidene)cyclohexa-1,5-dien-1-yl]diazenyl]phenyl]-1,3-benzothiazole-7-sulfonate Openeye Name: sodium 2-[4-[(3E)-6-hydroxy-4-oxo-3-(phenylhydrazono)cyclohexa-1,5-dien-1-yl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate CAS Name: sodium 2-[4-[[(3E)-6-hydroxy-4-oxo-3-(phenylhydrazinylidene)-1-cyclohexa-1,5-dienyl]azo]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate IUPAC Name: sodium 2-[4-[[(3E)-6-hydroxy-4-oxo-3-(phenylhydrazinylidene)cyclohexa-1,5-dien-1-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Traditional Name: sodium 2-[4-[(3E)-6-hydroxy-4-keto-3-(phenylhydrazono)cyclohexa-1,5-dien-1-yl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Formula: C26H18N5NaO5S2 MolecularWeight: 567.57139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4=CC(=NNC5=CC=CC=C5)C(=O)C=C4O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4=C/C(=N\NC5=CC=CC=C5)/C(=O)C=C4O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H19N5O5S2.Na/c1-15-7-12-19-24(25(15)38(34,35)36)37-26(27-19)16-8-10-18(11-9-16)29-31-21-13-20(22(32)14-23(21)33)30-28-17-5-3-2-4-6-17;/h2-14,28,33H,1H3,(H,34,35,36);/q;+1/p-1/b30-20+,31-29?;