[2-[2-(1-adamantyloxy)-2-oxidanylidene-ethyl]-4,6-dimethyl-phenyl]-oxidanylidene-methanesulfinic acid

Systemtic Name: [2-[2-(1-adamantyloxy)-2-oxidanylidene-ethyl]-4,6-dimethyl-phenyl]-oxidanylidene-methanesulfinic acid Openeye Name: [2-[2-(1-adamantyloxy)-2-oxo-ethyl]-4,6-dimethyl-phenyl]-oxo-methanesulfinic acid CAS Name: [2-[2-(1-adamantyloxy)-2-oxoethyl]-4,6-dimethylphenyl]-oxomethanesulfinic acid IUPAC Name: [2-[2-(1-adamantyloxy)-2-oxoethyl]-4,6-dimethylphenyl]-oxomethanesulfinic acid Traditional Name: [2-[2-(1-adamantyloxy)-2-keto-ethyl]-4,6-dimethyl-phenyl]-keto-methanesulfinic acid Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC(=O)OC23CC4CC(C2)CC(C4)C3)C(=O)S(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CC(=O)OC23CC4CC(C2)CC(C4)C3)C(=O)S(=O)O)C

InChI

InChI=1S/C21H26O5S/c1-12-3-13(2)19(20(23)27(24)25)17(4-12)8-18(22)26-21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,14-16H,5-11H2,1-2H3,(H,24,25)