[4-[3-[4-(4-ethyl-2,3-dimethyl-4-oxidanyl-hexyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate

Systemtic Name: [4-[3-[4-(4-ethyl-2,3-dimethyl-4-oxidanyl-hexyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate Openeye Name: [4-[1-ethyl-1-[4-(4-ethyl-4-hydroxy-2,3-dimethyl-hexyl)-3-methyl-phenyl]propyl]-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(4-ethyl-4-hydroxy-2,3-dimethylhexyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl] ester IUPAC Name: [4-[3-[4-(4-ethyl-4-hydroxy-2,3-dimethylhexyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(4-ethyl-4-hydroxy-2,3-dimethyl-hexyl)-3-methyl-phenyl]propyl]-2-methyl-phenyl] ester Formula: C30H46O4S MolecularWeight: 502.74884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)CC(C)C(C)C(CC)(CC)O)C)C2=CC(=C(C=C2)OS(=O)(=O)C)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)CC(C)C(C)C(CC)(CC)O)C)C2=CC(=C(C=C2)OS(=O)(=O)C)C

InChI

InChI=1S/C30H46O4S/c1-10-29(11-2,27-16-17-28(23(7)20-27)34-35(9,32)33)26-15-14-25(22(6)19-26)18-21(5)24(8)30(31,12-3)13-4/h14-17,19-21,24,31H,10-13,18H2,1-9H3