[2,5-bis(oxidanylidene)-3,4-diphenyl-pyrrol-1-yl] octane-1-sulfonate

Systemtic Name: [2,5-bis(oxidanylidene)-3,4-diphenyl-pyrrol-1-yl] octane-1-sulfonate Openeye Name: (2,5-dioxo-3,4-diphenyl-pyrrol-1-yl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (2,5-dioxo-3,4-diphenylpyrrol-1-yl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (2,5-diketo-3,4-diphenyl-3-pyrrolin-1-yl) ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)ON1C(=O)C(=C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCS(=O)(=O)ON1C(=O)C(=C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27NO5S/c1-2-3-4-5-6-13-18-31(28,29)30-25-23(26)21(19-14-9-7-10-15-19)22(24(25)27)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3