[1-(21-oxidanyldocosyl)-6-oxidanylidene-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate

Systemtic Name: [1-(21-oxidanyldocosyl)-6-oxidanylidene-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [5-(benzenesulfonyl)-1-(21-hydroxydocosyl)-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [5-(benzenesulfonyl)-1-(21-hydroxydocosyl)-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [5-(benzenesulfonyl)-1-(21-hydroxydocosyl)-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [5-besyl-1-(21-hydroxydocosyl)-6-keto-cyclohexa-2,4-dien-1-yl] ester Formula: C36H56O6S MolecularWeight: 616.89124

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCCCCCCCCCC1(C=CC=C(C1=O)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)O

Isomeric SMILES

CC(CCCCCCCCCCCCCCCCCCCCC1(C=CC=C(C1=O)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)O

InChI

InChI=1S/C36H56O6S/c1-31(37)25-20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23-29-36(42-32(2)38)30-24-28-34(35(36)39)43(40,41)33-26-21-19-22-27-33/h19,21-22,24,26-28,30-31,37H,3-18,20,23,25,29H2,1-2H3