2-(1-adamantyl)-6-oxidanyl-thiochromen-4-one

Systemtic Name: 2-(1-adamantyl)-6-oxidanyl-thiochromen-4-one Openeye Name: 2-(1-adamantyl)-6-hydroxy-thiochromen-4-one CAS Name: 2-(1-adamantyl)-6-hydroxy-1-benzothiopyran-4-one IUPAC Name: 2-(1-adamantyl)-6-hydroxythiochromen-4-one Traditional Name: 2-(1-adamantyl)-6-hydroxy-thiochromen-4-one Formula: C19H20O2S MolecularWeight: 312.4259

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=O)C5=C(S4)C=CC(=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=O)C5=C(S4)C=CC(=C5)O

InChI

InChI=1S/C19H20O2S/c20-14-1-2-17-15(6-14)16(21)7-18(22-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6-7,11-13,20H,3-5,8-10H2