(1-oxidanylidene-1-phenyl-dodecan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-oxidanylidene-1-phenyl-dodecan-2-yl) 4-methylbenzenesulfonate Openeye Name: 1-benzoylundecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-oxo-1-phenyldodecan-2-yl) ester IUPAC Name: (1-oxo-1-phenyldodecan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-benzoylundecyl ester Formula: C25H34O4S MolecularWeight: 430.60006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCC(C(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H34O4S/c1-3-4-5-6-7-8-9-13-16-24(25(26)22-14-11-10-12-15-22)29-30(27,28)23-19-17-21(2)18-20-23/h10-12,14-15,17-20,24H,3-9,13,16H2,1-2H3