[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] methanesulfinate

Systemtic Name: [2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] methanesulfinate Openeye Name: [2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl] methanesulfinate CAS Name: methanesulfinic acid [2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] methanesulfinate Traditional Name: methanesulfinic acid [2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C23H40O3S MolecularWeight: 396.6269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)OS(=O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)OS(=O)C

InChI

InChI=1S/C23H40O3S/c1-8-9-10-11-12-13-16-25-20-15-14-19(17-21(20)26-27(7)24)23(5,6)18-22(2,3)4/h14-15,17H,8-13,16,18H2,1-7H3