[2-(butoxymethyl)-2-adamantyl] 4-(trioxidanylsulfanyl)benzoate

Systemtic Name: [2-(butoxymethyl)-2-adamantyl] 4-(trioxidanylsulfanyl)benzoate Openeye Name: [2-(butoxymethyl)-2-adamantyl] 4-(trioxidanylsulfanyl)benzoate CAS Name: 4-(trioxidanylthio)benzoic acid [2-(butoxymethyl)-2-adamantyl] ester IUPAC Name: [2-(butoxymethyl)-2-adamantyl] 4-(trioxidanylsulfanyl)benzoate Traditional Name: 4-(trioxidanylthio)benzoic acid [2-(butoxymethyl)-2-adamantyl] ester Formula: C22H30O6S MolecularWeight: 422.535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC=C(C=C4)SOOO

Isomeric SMILES

CCCCOCC1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC=C(C=C4)SOOO

InChI

InChI=1S/C22H30O6S/c1-2-3-8-25-14-22(18-10-15-9-16(12-18)13-19(22)11-15)26-21(23)17-4-6-20(7-5-17)29-28-27-24/h4-7,15-16,18-19,24H,2-3,8-14H2,1H3