(2-methyl-2-adamantyl) 4-(trioxidanylsulfanyl)benzoate

Systemtic Name: (2-methyl-2-adamantyl) 4-(trioxidanylsulfanyl)benzoate Openeye Name: (2-methyl-2-adamantyl) 4-(trioxidanylsulfanyl)benzoate CAS Name: 4-(trioxidanylthio)benzoic acid (2-methyl-2-adamantyl) ester IUPAC Name: (2-methyl-2-adamantyl) 4-(trioxidanylsulfanyl)benzoate Traditional Name: 4-(trioxidanylthio)benzoic acid (2-methyl-2-adamantyl) ester Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC=C(C=C4)SOOO

Isomeric SMILES

CC1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC=C(C=C4)SOOO

InChI

InChI=1S/C18H22O5S/c1-18(14-7-11-6-12(9-14)10-15(18)8-11)21-17(19)13-2-4-16(5-3-13)24-23-22-20/h2-5,11-12,14-15,20H,6-10H2,1H3