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

Systemtic Name: 5-[3-heptadecyl-4-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[3-heptadecyl-4-(4-nitrophenyl)azo-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[3-heptadecyl-4-(4-nitrophenyl)azo-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[3-heptadecyl-4-[(4-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[3-heptadecyl-5-keto-4-(4-nitrophenyl)azo-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C38H49N5O7S MolecularWeight: 719.88996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=CC=C(C=C2)[N+](=O)[O-])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)[N+](=O)[O-])C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C38H49N5O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34-37(40-39-30-23-25-31(26-24-30)43(45)46)38(44)42(41-34)32-27-28-35(36(29-32)51(47,48)49)50-33-20-17-16-18-21-33/h16-18,20-21,23-29,37H,2-15,19,22H2,1H3,(H,47,48,49)