[4-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C20H22O2S2 MolecularWeight: 358.51748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H22O2S2/c1-20(2,3)16-8-4-14(5-9-16)18(21)22-17-10-6-15(7-11-17)19-23-12-13-24-19/h4-11,19H,12-13H2,1-3H3