phenyl 2-(1-adamantylsulfanyl)ethanesulfonate

Systemtic Name: phenyl 2-(1-adamantylsulfanyl)ethanesulfonate Openeye Name: phenyl 2-(1-adamantylsulfanyl)ethanesulfonate CAS Name: 2-(1-adamantylthio)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-adamantylsulfanyl)ethanesulfonate Traditional Name: 2-(1-adamantylthio)ethanesulfonic acid phenyl ester Formula: C18H24O3S2 MolecularWeight: 352.51136

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C18H24O3S2/c19-23(20,21-17-4-2-1-3-5-17)7-6-22-18-11-14-8-15(12-18)10-16(9-14)13-18/h1-5,14-16H,6-13H2