5-azanyl-2-[(E)-2-[4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazolidin-4-yl)diazenyl]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(E)-2-[4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazolidin-4-yl)diazenyl]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-amino-2-[(E)-2-[4-(3-methyl-5-oxo-1-phenyl-pyrazolidin-4-yl)azo-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-amino-2-[(E)-2-[4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolidinyl)azo]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[(E)-2-[4-[(3-methyl-5-oxo-1-phenylpyrazolidin-4-yl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-amino-2-[(E)-2-[4-(5-keto-3-methyl-1-phenyl-pyrazolidin-4-yl)azo-2-sulfo-phenyl]vinyl]besylic acid Formula: C24H23N5O7S2 MolecularWeight: 557.59872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H23N5O7S2/c1-15-23(24(30)29(28-15)20-5-3-2-4-6-20)27-26-19-12-10-17(22(14-19)38(34,35)36)8-7-16-9-11-18(25)13-21(16)37(31,32)33/h2-15,23,28H,25H2,1H3,(H,31,32,33)(H,34,35,36)/b8-7+,27-26?