4-hexadecan-4-yl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidine-4-sulfonic acid

Systemtic Name: 4-hexadecan-4-yl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidine-4-sulfonic acid Openeye Name: 3,5-dioxo-1,2-diphenyl-4-(1-propyltridecyl)pyrazolidine-4-sulfonic acid CAS Name: 4-hexadecan-4-yl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinesulfonic acid IUPAC Name: 4-hexadecan-4-yl-3,5-dioxo-1,2-diphenylpyrazolidine-4-sulfonic acid Traditional Name: 3,5-diketo-1,2-diphenyl-4-(1-propyltridecyl)pyrazolidine-4-sulfonic acid Formula: C31H44N2O5S MolecularWeight: 556.75646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC)C1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCC)C1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C31H44N2O5S/c1-3-5-6-7-8-9-10-11-12-15-21-26(20-4-2)31(39(36,37)38)29(34)32(27-22-16-13-17-23-27)33(30(31)35)28-24-18-14-19-25-28/h13-14,16-19,22-26H,3-12,15,20-21H2,1-2H3,(H,36,37,38)