3-[4,6,7-trimethyl-5-(phenylcarbonyloxy)-1,3-benzoxathiol-2-yl]propyl benzoate

Systemtic Name: 3-[4,6,7-trimethyl-5-(phenylcarbonyloxy)-1,3-benzoxathiol-2-yl]propyl benzoate Openeye Name: 3-(5-benzoyloxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)propyl benzoate CAS Name: benzoic acid 3-(5-benzoyloxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)propyl ester IUPAC Name: 3-(5-benzoyloxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)propyl benzoate Traditional Name: benzoic acid 3-(5-benzoyloxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)propyl ester Formula: C27H26O5S MolecularWeight: 462.55734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1OC(S2)CCCOC(=O)C3=CC=CC=C3)C)OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=C(C2=C1OC(S2)CCCOC(=O)C3=CC=CC=C3)C)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26O5S/c1-17-18(2)24-25(19(3)23(17)32-27(29)21-13-8-5-9-14-21)33-22(31-24)15-10-16-30-26(28)20-11-6-4-7-12-20/h4-9,11-14,22H,10,15-16H2,1-3H3