2-(1-adamantyl)-4-oxidanylidene-thiochromene-6-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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