5-[4-[[2-(dimethylamino)phenyl]diazenyl]-3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[4-[[2-(dimethylamino)phenyl]diazenyl]-3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[4-[2-(dimethylamino)phenyl]azo-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[4-[2-(dimethylamino)phenyl]azo-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[4-[[2-(dimethylamino)phenyl]diazenyl]-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[4-[2-(dimethylamino)phenyl]azo-3-heptadecyl-5-keto-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C40H55N5O5S MolecularWeight: 717.9602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=CC=CC=C2N(C)C)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=CC=CC=C2N(C)C)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C40H55N5O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-35-39(42-41-34-26-22-23-28-36(34)44(2)3)40(46)45(43-35)32-29-30-37(38(31-32)51(47,48)49)50-33-24-19-18-20-25-33/h18-20,22-26,28-31,39H,4-17,21,27H2,1-3H3,(H,47,48,49)