bis(2-ethyl-2-adamantyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate

Systemtic Name: bis(2-ethyl-2-adamantyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Openeye Name: bis(2-ethyl-2-adamantyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate CAS Name: 5-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(2-ethyl-2-adamantyl) ester IUPAC Name: bis(2-ethyl-2-adamantyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Traditional Name: 5-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(2-ethyl-2-adamantyl) ester Formula: C32H42O7S MolecularWeight: 570.73668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC(=CC(=C4)SOOO)C(=O)OC5(C6CC7CC(C6)CC5C7)CC

Isomeric SMILES

CCC1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC(=CC(=C4)SOOO)C(=O)OC5(C6CC7CC(C6)CC5C7)CC

InChI

InChI=1S/C32H42O7S/c1-3-31(24-7-18-5-19(9-24)10-25(31)8-18)36-29(33)22-15-23(17-28(16-22)40-39-38-35)30(34)37-32(4-2)26-11-20-6-21(13-26)14-27(32)12-20/h15-21,24-27,35H,3-14H2,1-2H3