[4-[(tert-butyldisulfanyl)methyl]phenyl] benzoate

Systemtic Name: [4-[(tert-butyldisulfanyl)methyl]phenyl] benzoate Openeye Name: [4-[(tert-butyldisulfanyl)methyl]phenyl] benzoate CAS Name: benzoic acid [4-[(tert-butyldisulfanyl)methyl]phenyl] ester IUPAC Name: [4-[(tert-butyldisulfanyl)methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(tert-butyldisulfanyl)methyl]phenyl] ester Formula: C18H20O2S2 MolecularWeight: 332.4802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SSCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SSCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20O2S2/c1-18(2,3)22-21-13-14-9-11-16(12-10-14)20-17(19)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3