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1-adamantylmethyl 4-(trioxidanylsulfanyl)benzoate

1-adamantylmethyl 4-(trioxidanylsulfanyl)benzoate

Systemtic Name:1-adamantylmethyl 4-(trioxidanylsulfanyl)benzoate
Openeye Name:1-adamantylmethyl 4-(trioxidanylsulfanyl)benzoate
CAS Name:4-(trioxidanylthio)benzoic acid 1-adamantylmethyl ester
IUPAC Name:1-adamantylmethyl 4-(trioxidanylsulfanyl)benzoate
Traditional Name:4-(trioxidanylthio)benzoic acid 1-adamantylmethyl ester
Formula: C18H22O5S
MolecularWeight: 350.42928
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)SOOO


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)SOOO


InChI

InChI=1S/C18H22O5S/c19-17(15-1-3-16(4-2-15)24-23-22-20)21-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2


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