2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate

Systemtic Name: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate Openeye Name: [1-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)-1-methyl-ethyl] benzoate CAS Name: benzoic acid 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl ester IUPAC Name: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)propan-2-yl benzoate Traditional Name: benzoic acid [1-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-7-yl)-1-methyl-ethyl] ester Formula: C23H28O3S MolecularWeight: 384.53162

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=CC(=C2SO1)C(C)(C)OC(=O)C3=CC=CC=C3)C(C)(C)C)C

Isomeric SMILES

CC1(C2=CC(=CC(=C2SO1)C(C)(C)OC(=O)C3=CC=CC=C3)C(C)(C)C)C

InChI

InChI=1S/C23H28O3S/c1-21(2,3)16-13-17(19-18(14-16)23(6,7)26-27-19)22(4,5)25-20(24)15-11-9-8-10-12-15/h8-14H,1-7H3