[2-methyl-4-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxidanylidene-pentyl)phenyl]pentan-3-yl]phenyl] ethanesulfonate

Systemtic Name: [2-methyl-4-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxidanylidene-pentyl)phenyl]pentan-3-yl]phenyl] ethanesulfonate Openeye Name: [4-[1-ethyl-1-[3-methyl-4-(2,4,4-trimethyl-3-oxo-pentyl)phenyl]propyl]-2-methyl-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methyl-4-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxopentyl)phenyl]pentan-3-yl]phenyl] ester IUPAC Name: [2-methyl-4-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxopentyl)phenyl]pentan-3-yl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[1-ethyl-1-[4-(3-keto-2,4,4-trimethyl-pentyl)-3-methyl-phenyl]propyl]-2-methyl-phenyl] ester Formula: C29H42O4S MolecularWeight: 486.70638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O4S/c1-10-29(11-2,25-15-16-26(21(5)19-25)33-34(31,32)12-3)24-14-13-23(20(4)18-24)17-22(6)27(30)28(7,8)9/h13-16,18-19,22H,10-12,17H2,1-9H3