1-(phenylsulfonyl)tridecan-3-yl ethanoate

Systemtic Name: 1-(phenylsulfonyl)tridecan-3-yl ethanoate Openeye Name: 1-[2-(benzenesulfonyl)ethyl]undecyl acetate CAS Name: acetic acid 1-(benzenesulfonyl)tridecan-3-yl ester IUPAC Name: 1-(benzenesulfonyl)tridecan-3-yl acetate Traditional Name: acetic acid 1-(2-besylethyl)undecyl ester Formula: C21H34O4S MolecularWeight: 382.55726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCS(=O)(=O)C1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCCCCCCCCCC(CCS(=O)(=O)C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C21H34O4S/c1-3-4-5-6-7-8-9-11-14-20(25-19(2)22)17-18-26(23,24)21-15-12-10-13-16-21/h10,12-13,15-16,20H,3-9,11,14,17-18H2,1-2H3