octyl 2,5-dimethoxybenzenesulfonate

Systemtic Name: octyl 2,5-dimethoxybenzenesulfonate Openeye Name: octyl 2,5-dimethoxybenzenesulfonate CAS Name: 2,5-dimethoxybenzenesulfonic acid octyl ester IUPAC Name: octyl 2,5-dimethoxybenzenesulfonate Traditional Name: 2,5-dimethoxybenzenesulfonic acid octyl ester Formula: C16H26O5S MolecularWeight: 330.43964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)C1=C(C=CC(=C1)OC)OC

Isomeric SMILES

CCCCCCCCOS(=O)(=O)C1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C16H26O5S/c1-4-5-6-7-8-9-12-21-22(17,18)16-13-14(19-2)10-11-15(16)20-3/h10-11,13H,4-9,12H2,1-3H3