bis(3-hexadecylsulfinyl-2-oxidanyl-propyl) benzene-1,4-dicarboxylate

Systemtic Name: bis(3-hexadecylsulfinyl-2-oxidanyl-propyl) benzene-1,4-dicarboxylate Openeye Name: bis(3-hexadecylsulfinyl-2-hydroxy-propyl) benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis(3-hexadecylsulfinyl-2-hydroxypropyl) ester IUPAC Name: bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis(3-cetylsulfinyl-2-hydroxy-propyl) ester Formula: C46H82O8S2 MolecularWeight: 827.26848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)CC(COC(=O)C1=CC=C(C=C1)C(=O)OCC(CS(=O)CCCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)CC(COC(=O)C1=CC=C(C=C1)C(=O)OCC(CS(=O)CCCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C46H82O8S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-55(51)39-43(47)37-53-45(49)41-31-33-42(34-32-41)46(50)54-38-44(48)40-56(52)36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,43-44,47-48H,3-30,35-40H2,1-2H3