sodium 4-(2-octanoylperoxyethanoyloxy)benzenesulfonate

Systemtic Name: sodium 4-(2-octanoylperoxyethanoyloxy)benzenesulfonate Openeye Name: sodium 4-(2-octanoylperoxyacetyl)oxybenzenesulfonate CAS Name: sodium 4-[1-oxo-2-(1-oxooctyldioxy)ethoxy]benzenesulfonate IUPAC Name: sodium 4-(2-octanoylperoxyacetyl)oxybenzenesulfonate Traditional Name: sodium 4-(2-caprylylperoxyacetyl)oxybesylate Formula: C16H21NaO8S MolecularWeight: 396.38791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OOCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC(=O)OOCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H22O8S.Na/c1-2-3-4-5-6-7-15(17)24-22-12-16(18)23-13-8-10-14(11-9-13)25(19,20)21;/h8-11H,2-7,12H2,1H3,(H,19,20,21);/q;+1/p-1