[3-(cyclohexylmethyl)-2-oxidanylidene-pentyl] 2-ethoxybenzenesulfonate

Systemtic Name: [3-(cyclohexylmethyl)-2-oxidanylidene-pentyl] 2-ethoxybenzenesulfonate Openeye Name: [3-(cyclohexylmethyl)-2-oxo-pentyl] 2-ethoxybenzenesulfonate CAS Name: 2-ethoxybenzenesulfonic acid [3-(cyclohexylmethyl)-2-oxopentyl] ester IUPAC Name: [3-(cyclohexylmethyl)-2-oxopentyl] 2-ethoxybenzenesulfonate Traditional Name: 2-ethoxybenzenesulfonic acid [3-(cyclohexylmethyl)-2-keto-pentyl] ester Formula: C20H30O5S MolecularWeight: 382.5142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCCCC1)C(=O)COS(=O)(=O)C2=CC=CC=C2OCC

Isomeric SMILES

CCC(CC1CCCCC1)C(=O)COS(=O)(=O)C2=CC=CC=C2OCC

InChI

InChI=1S/C20H30O5S/c1-3-17(14-16-10-6-5-7-11-16)18(21)15-25-26(22,23)20-13-9-8-12-19(20)24-4-2/h8-9,12-13,16-17H,3-7,10-11,14-15H2,1-2H3