(2,6-dithiophen-2-ylthian-4-yl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: (2,6-dithiophen-2-ylthian-4-yl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2,6-bis(2-thienyl)tetrahydrothiopyran-4-yl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid (2,6-dithiophen-2-yl-4-thianyl) ester IUPAC Name: (2,6-dithiophen-2-ylthian-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid [2,6-bis(2-thienyl)tetrahydrothiopyran-4-yl] ester Formula: C30H38O3S3 MolecularWeight: 542.81592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC2CC(SC(C2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC2CC(SC(C2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C30H38O3S3/c1-29(2,3)21-15-19(16-22(28(21)32)30(4,5)6)11-12-27(31)33-20-17-25(23-9-7-13-34-23)36-26(18-20)24-10-8-14-35-24/h7-10,13-16,20,25-26,32H,11-12,17-18H2,1-6H3