[2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] octane-1-sulfonate

Systemtic Name: [2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] octane-1-sulfonate Openeye Name: (3-benzyl-2,5-dioxo-pyrrolidin-1-yl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (3-benzyl-2,5-dioxopyrrolidin-1-yl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (3-benzyl-2,5-diketo-pyrrolidino) ester Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)ON1C(=O)CC(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCS(=O)(=O)ON1C(=O)CC(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H27NO5S/c1-2-3-4-5-6-10-13-26(23,24)25-20-18(21)15-17(19(20)22)14-16-11-8-7-9-12-16/h7-9,11-12,17H,2-6,10,13-15H2,1H3