5-(3-heptadecyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-(3-heptadecyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid Openeye Name: 5-(3-heptadecyl-5-oxo-4-phenylazo-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid CAS Name: 5-(3-heptadecyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid IUPAC Name: 5-(3-heptadecyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid Traditional Name: 5-(3-heptadecyl-5-keto-4-phenylazo-2-pyrazolin-1-yl)-2-phenoxy-besylic acid Formula: C38H50N4O5S MolecularWeight: 674.8924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C38H50N4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-34-37(40-39-31-23-18-16-19-24-31)38(43)42(41-34)32-28-29-35(36(30-32)48(44,45)46)47-33-25-20-17-21-26-33/h16-21,23-26,28-30,37H,2-15,22,27H2,1H3,(H,44,45,46)