5-[4-[2-(3,5-dimethylpyrazol-4-ylidene)hydrazinyl]-3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[4-[2-(3,5-dimethylpyrazol-4-ylidene)hydrazinyl]-3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[4-[2-(3,5-dimethylpyrazol-4-ylidene)hydrazino]-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[4-[2-(3,5-dimethyl-4-pyrazolylidene)hydrazinyl]-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[4-[2-(3,5-dimethylpyrazol-4-ylidene)hydrazinyl]-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[4-[N'-(3,5-dimethylpyrazol-4-ylidene)hydrazino]-3-heptadecyl-5-keto-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C37H52N6O5S MolecularWeight: 692.91098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1NN=C2C(=NN=C2C)C)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1NN=C2C(=NN=C2C)C)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C37H52N6O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32-36(41-40-35-28(2)38-39-29(35)3)37(44)43(42-32)30-25-26-33(34(27-30)49(45,46)47)48-31-22-19-18-20-23-31/h18-20,22-23,25-27,36,41H,4-17,21,24H2,1-3H3,(H,45,46,47)