4-acetyloxybenzenesulfonic acid; 3-hexyloxiran-2-one

Systemtic Name: 4-acetyloxybenzenesulfonic acid; 3-hexyloxiran-2-one Openeye Name: 4-acetoxybenzenesulfonic acid; 3-hexyloxiran-2-one CAS Name: 4-acetyloxybenzenesulfonic acid; 3-hexyl-2-oxiranone IUPAC Name: 4-acetyloxybenzenesulfonic acid; 3-hexyloxiran-2-one Traditional Name: 4-acetoxybesylic acid; 3-hexyloxiran-2-one Formula: C16H22O7S MolecularWeight: 358.40668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=O)O1.CC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCC1C(=O)O1.CC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C8H8O5S.C8H14O2/c1-6(9)13-7-2-4-8(5-3-7)14(10,11)12;1-2-3-4-5-6-7-8(9)10-7/h2-5H,1H3,(H,10,11,12);7H,2-6H2,1H3