(3-cyclopentyl-2-oxidanylidene-propyl) 4-ethoxybenzenesulfonate

Systemtic Name: (3-cyclopentyl-2-oxidanylidene-propyl) 4-ethoxybenzenesulfonate Openeye Name: (3-cyclopentyl-2-oxo-propyl) 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid (3-cyclopentyl-2-oxopropyl) ester IUPAC Name: (3-cyclopentyl-2-oxopropyl) 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid (3-cyclopentyl-2-keto-propyl) ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)OCC(=O)CC2CCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)OCC(=O)CC2CCCC2

InChI

InChI=1S/C16H22O5S/c1-2-20-15-7-9-16(10-8-15)22(18,19)21-12-14(17)11-13-5-3-4-6-13/h7-10,13H,2-6,11-12H2,1H3