[3-oxidanyl-2-(9-oxidanylnonyl)-4-(phenylsulfonyl)phenyl] ethanoate

Systemtic Name: [3-oxidanyl-2-(9-oxidanylnonyl)-4-(phenylsulfonyl)phenyl] ethanoate Openeye Name: [4-(benzenesulfonyl)-3-hydroxy-2-(9-hydroxynonyl)phenyl] acetate CAS Name: acetic acid [4-(benzenesulfonyl)-3-hydroxy-2-(9-hydroxynonyl)phenyl] ester IUPAC Name: [4-(benzenesulfonyl)-3-hydroxy-2-(9-hydroxynonyl)phenyl] acetate Traditional Name: acetic acid [4-besyl-3-hydroxy-2-(9-hydroxynonyl)phenyl] ester Formula: C23H30O6S MolecularWeight: 434.5457

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C=C1)S(=O)(=O)C2=CC=CC=C2)O)CCCCCCCCCO

Isomeric SMILES

CC(=O)OC1=C(C(=C(C=C1)S(=O)(=O)C2=CC=CC=C2)O)CCCCCCCCCO

InChI

InChI=1S/C23H30O6S/c1-18(25)29-21-15-16-22(30(27,28)19-12-8-7-9-13-19)23(26)20(21)14-10-5-3-2-4-6-11-17-24/h7-9,12-13,15-16,24,26H,2-6,10-11,14,17H2,1H3