2-(2-adamantyl)-4-oxidanylidene-thiochromene-6-carboxylic acid

Systemtic Name: 2-(2-adamantyl)-4-oxidanylidene-thiochromene-6-carboxylic acid Openeye Name: 2-(2-adamantyl)-4-oxo-thiochromene-6-carboxylic acid CAS Name: 2-(2-adamantyl)-4-oxo-1-benzothiopyran-6-carboxylic acid IUPAC Name: 2-(2-adamantyl)-4-oxothiochromene-6-carboxylic acid Traditional Name: 2-(2-adamantyl)-4-keto-thiochromene-6-carboxylic acid Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=CC(=O)C5=C(S4)C=CC(=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=CC(=O)C5=C(S4)C=CC(=C5)C(=O)O

InChI

InChI=1S/C20H20O3S/c21-16-9-18(24-17-2-1-12(20(22)23)8-15(16)17)19-13-4-10-3-11(6-13)7-14(19)5-10/h1-2,8-11,13-14,19H,3-7H2,(H,22,23)