[4-[4-(3,5-ditert-butylphenyl)carbonyloxyphenyl]sulfonylphenyl] 3,5-ditert-butylbenzoate

Systemtic Name: [4-[4-(3,5-ditert-butylphenyl)carbonyloxyphenyl]sulfonylphenyl] 3,5-ditert-butylbenzoate Openeye Name: [4-[4-(3,5-ditert-butylbenzoyl)oxyphenyl]sulfonylphenyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [4-[4-[(3,5-ditert-butylphenyl)-oxomethoxy]phenyl]sulfonylphenyl] ester IUPAC Name: [4-[4-(3,5-ditert-butylbenzoyl)oxyphenyl]sulfonylphenyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [4-[4-(3,5-ditert-butylbenzoyl)oxyphenyl]sulfonylphenyl] ester Formula: C42H50O6S MolecularWeight: 682.9078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C42H50O6S/c1-39(2,3)29-21-27(22-30(25-29)40(4,5)6)37(43)47-33-13-17-35(18-14-33)49(45,46)36-19-15-34(16-20-36)48-38(44)28-23-31(41(7,8)9)26-32(24-28)42(10,11)12/h13-26H,1-12H3