4-acetyloxybenzenesulfonic acid; octane-1-sulfinic acid

Systemtic Name: 4-acetyloxybenzenesulfonic acid; octane-1-sulfinic acid Openeye Name: 4-acetoxybenzenesulfonic acid; octane-1-sulfinic acid CAS Name: 4-acetyloxybenzenesulfonic acid; 1-octanesulfinic acid IUPAC Name: 4-acetyloxybenzenesulfonic acid; octane-1-sulfinic acid Traditional Name: 4-acetoxybesylic acid; octane-1-sulfinic acid Formula: C16H26O7S2 MolecularWeight: 394.50344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)O.CC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCS(=O)O.CC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C8H8O5S.C8H18O2S/c1-6(9)13-7-2-4-8(5-3-7)14(10,11)12;1-2-3-4-5-6-7-8-11(9)10/h2-5H,1H3,(H,10,11,12);2-8H2,1H3,(H,9,10)