1-adamantyl-[2-chloranyl-4,6-bis(oxidanyl)phenyl]methanone

Systemtic Name: 1-adamantyl-[2-chloranyl-4,6-bis(oxidanyl)phenyl]methanone Openeye Name: 1-adamantyl-(2-chloro-4,6-dihydroxy-phenyl)methanone CAS Name: 1-adamantyl-(2-chloro-4,6-dihydroxyphenyl)methanone IUPAC Name: 1-adamantyl-(2-chloro-4,6-dihydroxyphenyl)methanone Traditional Name: 1-adamantyl-(2-chloro-4,6-dihydroxy-phenyl)methanone Formula: C17H19ClO3 MolecularWeight: 306.78396

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C=C(C=C4Cl)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C=C(C=C4Cl)O)O

InChI

InChI=1S/C17H19ClO3/c18-13-4-12(19)5-14(20)15(13)16(21)17-6-9-1-10(7-17)3-11(2-9)8-17/h4-5,9-11,19-20H,1-3,6-8H2