3-[6-tert-butyl-5-(phenylcarbonyloxy)-1,3-benzoxathiol-2-yl]propyl benzoate

Systemtic Name: 3-[6-tert-butyl-5-(phenylcarbonyloxy)-1,3-benzoxathiol-2-yl]propyl benzoate Openeye Name: 3-(5-benzoyloxy-6-tert-butyl-1,3-benzoxathiol-2-yl)propyl benzoate CAS Name: benzoic acid 3-(5-benzoyloxy-6-tert-butyl-1,3-benzoxathiol-2-yl)propyl ester IUPAC Name: 3-(5-benzoyloxy-6-tert-butyl-1,3-benzoxathiol-2-yl)propyl benzoate Traditional Name: benzoic acid 3-(5-benzoyloxy-6-tert-butyl-1,3-benzoxathiol-2-yl)propyl ester Formula: C28H28O5S MolecularWeight: 476.58392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1OC(=O)C3=CC=CC=C3)SC(O2)CCCOC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1OC(=O)C3=CC=CC=C3)SC(O2)CCCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H28O5S/c1-28(2,3)21-17-23-24(18-22(21)33-27(30)20-13-8-5-9-14-20)34-25(32-23)15-10-16-31-26(29)19-11-6-4-7-12-19/h4-9,11-14,17-18,25H,10,15-16H2,1-3H3