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

Systemtic Name: (2,6-dithiophen-2-ylthian-4-yl) 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: [2,6-bis(2-thienyl)tetrahydrothiopyran-4-yl] 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid (2,6-dithiophen-2-yl-4-thianyl) ester IUPAC Name: (2,6-dithiophen-2-ylthian-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid [2,6-bis(2-thienyl)tetrahydrothiopyran-4-yl] ester Formula: C28H34O3S3 MolecularWeight: 514.76276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34O3S3/c1-27(2,3)19-13-17(14-20(25(19)29)28(4,5)6)26(30)31-18-15-23(21-9-7-11-32-21)34-24(16-18)22-10-8-12-33-22/h7-14,18,23-24,29H,15-16H2,1-6H3