sodium 6-methyl-2-[2-[4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate

Systemtic Name: sodium 6-methyl-2-[2-[4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate Openeye Name: sodium 6-methyl-2-[2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate CAS Name: sodium 6-methyl-2-[2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate IUPAC Name: sodium 6-methyl-2-[2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate Traditional Name: sodium 2-[2-[4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate Formula: C31H21N6NaO4S3 MolecularWeight: 660.72101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)N=NC6C(=NN(C6=O)C7=CC=CC=C7)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)N=NC6C(=NN(C6=O)C7=CC=CC=C7)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C31H22N6O4S3.Na/c1-17-8-14-24-27(28(17)44(39,40)41)43-30(33-24)20-11-15-23-25(16-20)42-29(32-23)19-9-12-21(13-10-19)34-35-26-18(2)36-37(31(26)38)22-6-4-3-5-7-22;/h3-16,26H,1-2H3,(H,39,40,41);/q;+1/p-1