4-(5-oxidanylidene-3-pentadecyl-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(5-oxidanylidene-3-pentadecyl-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(5-oxo-3-pentadecyl-4-phenylazo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(5-oxo-3-pentadecyl-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 4-(5-oxo-3-pentadecyl-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(5-keto-3-pentadecyl-4-phenylazo-2-pyrazolin-1-yl)besylic acid Formula: C30H42N4O4S MolecularWeight: 554.74388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C30H42N4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28-29(32-31-25-18-15-14-16-19-25)30(35)34(33-28)26-21-23-27(24-22-26)39(36,37)38/h14-16,18-19,21-24,29H,2-13,17,20H2,1H3,(H,36,37,38)