1-[(4-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]-1-oxidanylidene-octadecane-2-sulfonic acid

Systemtic Name: 1-[(4-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]-1-oxidanylidene-octadecane-2-sulfonic acid Openeye Name: 1-[(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]-1-oxo-octadecane-2-sulfonic acid CAS Name: 1-[(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]-1-oxo-2-octadecanesulfonic acid IUPAC Name: 1-[(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]-1-oxooctadecane-2-sulfonic acid Traditional Name: 1-keto-1-[(5-keto-4-methyl-1-phenyl-2-pyrazolin-3-yl)amino]octadecane-2-sulfonic acid Formula: C28H45N3O5S MolecularWeight: 535.739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)NC1=NN(C(=O)C1C)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)NC1=NN(C(=O)C1C)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C28H45N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(37(34,35)36)27(32)29-26-23(2)28(33)31(30-26)24-20-17-16-18-21-24/h16-18,20-21,23,25H,3-15,19,22H2,1-2H3,(H,29,30,32)(H,34,35,36)