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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H16O2S2 MolecularWeight: 316.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C17H16O2S2/c1-12-2-4-13(5-3-12)16(18)19-15-8-6-14(7-9-15)17-20-10-11-21-17/h2-9,17H,10-11H2,1H3