(2-propan-2-yl-2-adamantyl) 4-(trioxidanylsulfanyl)benzoate

Systemtic Name: (2-propan-2-yl-2-adamantyl) 4-(trioxidanylsulfanyl)benzoate Openeye Name: (2-isopropyl-2-adamantyl) 4-(trioxidanylsulfanyl)benzoate CAS Name: 4-(trioxidanylthio)benzoic acid (2-propan-2-yl-2-adamantyl) ester IUPAC Name: (2-propan-2-yl-2-adamantyl) 4-(trioxidanylsulfanyl)benzoate Traditional Name: 4-(trioxidanylthio)benzoic acid (2-isopropyl-2-adamantyl) ester Formula: C20H26O5S MolecularWeight: 378.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC=C(C=C4)SOOO

Isomeric SMILES

CC(C)C1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC=C(C=C4)SOOO

InChI

InChI=1S/C20H26O5S/c1-12(2)20(16-8-13-7-14(10-16)11-17(20)9-13)23-19(21)15-3-5-18(6-4-15)26-25-24-22/h3-6,12-14,16-17,22H,7-11H2,1-2H3