bis(5-methyl-2-propan-2-yl-cyclohexyl) 3,3-bis(methylsulfanyl)cyclobutane-1,2-dicarboxylate

Systemtic Name: bis(5-methyl-2-propan-2-yl-cyclohexyl) 3,3-bis(methylsulfanyl)cyclobutane-1,2-dicarboxylate Openeye Name: bis(2-isopropyl-5-methyl-cyclohexyl) 3,3-bis(methylsulfanyl)cyclobutane-1,2-dicarboxylate CAS Name: 3,3-bis(methylthio)cyclobutane-1,2-dicarboxylic acid bis(5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: bis(5-methyl-2-propan-2-ylcyclohexyl) 3,3-bis(methylsulfanyl)cyclobutane-1,2-dicarboxylate Traditional Name: 3,3-bis(methylthio)cyclobutane-1,2-dicarboxylic acid bis(2-isopropyl-5-methyl-cyclohexyl) ester Formula: C28H48O4S2 MolecularWeight: 512.80832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CC(C2C(=O)OC3CC(CCC3C(C)C)C)(SC)SC)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2CC(C2C(=O)OC3CC(CCC3C(C)C)C)(SC)SC)C(C)C

InChI

InChI=1S/C28H48O4S2/c1-16(2)20-11-9-18(5)13-23(20)31-26(29)22-15-28(33-7,34-8)25(22)27(30)32-24-14-19(6)10-12-21(24)17(3)4/h16-25H,9-15H2,1-8H3