[2,4-bis(phenylsulfonyl)phenyl] octadecanoate

Systemtic Name: [2,4-bis(phenylsulfonyl)phenyl] octadecanoate Openeye Name: [2,4-bis(benzenesulfonyl)phenyl] octadecanoate CAS Name: octadecanoic acid [2,4-bis(benzenesulfonyl)phenyl] ester IUPAC Name: [2,4-bis(benzenesulfonyl)phenyl] octadecanoate Traditional Name: stearic acid (2,4-dibesylphenyl) ester Formula: C36H48O6S2 MolecularWeight: 640.89272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C36H48O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-36(37)42-34-29-28-33(43(38,39)31-23-18-16-19-24-31)30-35(34)44(40,41)32-25-20-17-21-26-32/h16-21,23-26,28-30H,2-15,22,27H2,1H3