(13-methyl-15-oxidanylidene-pentadecyl) 4-oxidanylbenzenesulfonate

Systemtic Name: (13-methyl-15-oxidanylidene-pentadecyl) 4-oxidanylbenzenesulfonate Openeye Name: (13-methyl-15-oxo-pentadecyl) 4-hydroxybenzenesulfonate CAS Name: 4-hydroxybenzenesulfonic acid (13-methyl-15-oxopentadecyl) ester IUPAC Name: (13-methyl-15-oxopentadecyl) 4-hydroxybenzenesulfonate Traditional Name: 4-hydroxybenzenesulfonic acid (15-keto-13-methyl-pentadecyl) ester Formula: C22H36O5S MolecularWeight: 412.58324

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)O)CC=O

Isomeric SMILES

CC(CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)O)CC=O

InChI

InChI=1S/C22H36O5S/c1-20(17-18-23)12-10-8-6-4-2-3-5-7-9-11-19-27-28(25,26)22-15-13-21(24)14-16-22/h13-16,18,20,24H,2-12,17,19H2,1H3