2-oxidanylideneundecyl 4-butoxybenzenesulfonate

Systemtic Name: 2-oxidanylideneundecyl 4-butoxybenzenesulfonate Openeye Name: 2-oxoundecyl 4-butoxybenzenesulfonate CAS Name: 4-butoxybenzenesulfonic acid 2-oxoundecyl ester IUPAC Name: 2-oxoundecyl 4-butoxybenzenesulfonate Traditional Name: 4-butoxybenzenesulfonic acid 2-ketoundecyl ester Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)COS(=O)(=O)C1=CC=C(C=C1)OCCCC

Isomeric SMILES

CCCCCCCCCC(=O)COS(=O)(=O)C1=CC=C(C=C1)OCCCC

InChI

InChI=1S/C21H34O5S/c1-3-5-7-8-9-10-11-12-19(22)18-26-27(23,24)21-15-13-20(14-16-21)25-17-6-4-2/h13-16H,3-12,17-18H2,1-2H3