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

Systemtic Name: 5-[4-[(4-chlorophenyl)diazenyl]-3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[4-(4-chlorophenyl)azo-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[4-(4-chlorophenyl)azo-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[4-[(4-chlorophenyl)diazenyl]-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[4-(4-chlorophenyl)azo-3-heptadecyl-5-keto-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C38H49ClN4O5S MolecularWeight: 709.33746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H49ClN4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34-37(41-40-31-25-23-30(39)24-26-31)38(44)43(42-34)32-27-28-35(36(29-32)49(45,46)47)48-33-20-17-16-18-21-33/h16-18,20-21,23-29,37H,2-15,19,22H2,1H3,(H,45,46,47)