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

Systemtic Name: 1-oxidanylidene-1-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]octadecane-2-sulfonic acid Openeye Name: 1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]octadecane-2-sulfonic acid CAS Name: 1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]-2-octadecanesulfonic acid IUPAC Name: 1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]octadecane-2-sulfonic acid Traditional Name: 1-keto-1-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]octadecane-2-sulfonic acid Formula: C27H43N3O5S MolecularWeight: 521.71242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C27H43N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(36(33,34)35)27(32)28-25-22-26(31)30(29-25)23-19-16-15-17-20-23/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,28,29,32)(H,33,34,35)