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

Systemtic Name: bis(2-methyl-2-adamantyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Openeye Name: bis(2-methyl-2-adamantyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate CAS Name: 5-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(2-methyl-2-adamantyl) ester IUPAC Name: bis(2-methyl-2-adamantyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Traditional Name: 5-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(2-methyl-2-adamantyl) ester Formula: C30H38O7S MolecularWeight: 542.68352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC(=CC(=C4)SOOO)C(=O)OC5(C6CC7CC(C6)CC5C7)C

Isomeric SMILES

CC1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC(=CC(=C4)SOOO)C(=O)OC5(C6CC7CC(C6)CC5C7)C

InChI

InChI=1S/C30H38O7S/c1-29(22-5-16-3-17(7-22)8-23(29)6-16)34-27(31)20-13-21(15-26(14-20)38-37-36-33)28(32)35-30(2)24-9-18-4-19(11-24)12-25(30)10-18/h13-19,22-25,33H,3-12H2,1-2H3