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2-adamantylmethyl 4-(trioxidanylsulfanyl)benzoate

2-adamantylmethyl 4-(trioxidanylsulfanyl)benzoate

Systemtic Name:2-adamantylmethyl 4-(trioxidanylsulfanyl)benzoate
Openeye Name:2-adamantylmethyl 4-(trioxidanylsulfanyl)benzoate
CAS Name:4-(trioxidanylthio)benzoic acid 2-adamantylmethyl ester
IUPAC Name:2-adamantylmethyl 4-(trioxidanylsulfanyl)benzoate
Traditional Name:4-(trioxidanylthio)benzoic acid 2-adamantylmethyl ester
Formula: C18H22O5S
MolecularWeight: 350.42928
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3COC(=O)C4=CC=C(C=C4)SOOO


Isomeric SMILES

C1C2CC3CC1CC(C2)C3COC(=O)C4=CC=C(C=C4)SOOO


InChI

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


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