[1,1-bis(oxidanylidene)-2,6-diphenyl-thian-4-yl] 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: [1,1-bis(oxidanylidene)-2,6-diphenyl-thian-4-yl] 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate Openeye Name: (1,1-dioxo-2,6-diphenyl-thian-4-yl) 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid (1,1-dioxo-2,6-diphenyl-4-thianyl) ester IUPAC Name: (1,1-dioxo-2,6-diphenylthian-4-yl) 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propionic acid (1,1-diketo-2,6-diphenyl-thian-4-yl) ester Formula: C31H36O5S MolecularWeight: 520.67954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCC(=O)OC2CC(S(=O)(=O)C(C2)C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CCC(=O)OC2CC(S(=O)(=O)C(C2)C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C)O

InChI

InChI=1S/C31H36O5S/c1-21-17-22(18-26(30(21)33)31(2,3)4)15-16-29(32)36-25-19-27(23-11-7-5-8-12-23)37(34,35)28(20-25)24-13-9-6-10-14-24/h5-14,17-18,25,27-28,33H,15-16,19-20H2,1-4H3