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

Systemtic Name: (2,6-dithiophen-2-ylthian-2-yl) 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2,6-bis(2-thienyl)tetrahydrothiopyran-2-yl] 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid (2,6-dithiophen-2-yl-2-thianyl) ester IUPAC Name: (2,6-dithiophen-2-ylthian-2-yl) 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propionic acid [2,6-bis(2-thienyl)tetrahydrothiopyran-2-yl] ester Formula: C27H32O3S3 MolecularWeight: 500.73618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCC(=O)OC2(CCCC(S2)C3=CC=CS3)C4=CC=CS4)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CCC(=O)OC2(CCCC(S2)C3=CC=CS3)C4=CC=CS4)C(C)(C)C)O

InChI

InChI=1S/C27H32O3S3/c1-18-16-19(17-20(25(18)29)26(2,3)4)11-12-24(28)30-27(23-10-7-15-32-23)13-5-8-22(33-27)21-9-6-14-31-21/h6-7,9-10,14-17,22,29H,5,8,11-13H2,1-4H3