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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC2(CCCC(S2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC2(CCCC(S2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C30H38O3S3/c1-28(2,3)21-18-20(19-22(27(21)32)29(4,5)6)13-14-26(31)33-30(25-12-9-17-35-25)15-7-10-24(36-30)23-11-8-16-34-23/h8-9,11-12,16-19,24,32H,7,10,13-15H2,1-6H3