[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H30O7S MolecularWeight: 462.5558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H30O7S/c1-15(23(26)24-12-16-8-17(13-24)10-18(9-16)14-24)31-22(25)4-7-32(27,28)19-2-3-20-21(11-19)30-6-5-29-20/h2-3,11,15-18H,4-10,12-14H2,1H3