10-[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]decyl 3-sulfanylpropanoate

Systemtic Name: 10-[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]decyl 3-sulfanylpropanoate Openeye Name: 10-[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-phenyl]decyl 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid 10-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]decyl ester IUPAC Name: 10-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]decyl 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid 10-[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-phenyl]decyl ester Formula: C31H54O3S MolecularWeight: 506.82366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)CCCCCCCCCCOC(=O)CCS

Isomeric SMILES

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)CCCCCCCCCCOC(=O)CCS

InChI

InChI=1S/C31H54O3S/c1-7-19-30(3,4)26-23-25(24-27(29(26)33)31(5,6)20-8-2)17-15-13-11-9-10-12-14-16-21-34-28(32)18-22-35/h23-24,33,35H,7-22H2,1-6H3