2-oxidanylidenetridecyl 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2-oxidanylidenetridecyl 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-oxotridecyl 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid 2-oxotridecyl ester IUPAC Name: 2-oxotridecyl 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid 2-ketotridecyl ester Formula: C22H36O4S MolecularWeight: 396.58384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)COS(=O)(=O)C1=C(C=C(C=C1C)C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)COS(=O)(=O)C1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C22H36O4S/c1-5-6-7-8-9-10-11-12-13-14-21(23)17-26-27(24,25)22-19(3)15-18(2)16-20(22)4/h15-16H,5-14,17H2,1-4H3