6,8-ditert-butyl-4-oxidanylidene-thiochromene-2-carboxylic acid

Systemtic Name: 6,8-ditert-butyl-4-oxidanylidene-thiochromene-2-carboxylic acid Openeye Name: 6,8-ditert-butyl-4-oxo-thiochromene-2-carboxylic acid CAS Name: 6,8-ditert-butyl-4-oxo-1-benzothiopyran-2-carboxylic acid IUPAC Name: 6,8-ditert-butyl-4-oxothiochromene-2-carboxylic acid Traditional Name: 6,8-ditert-butyl-4-keto-thiochromene-2-carboxylic acid Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C(=O)C=C(S2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C(=O)C=C(S2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C18H22O3S/c1-17(2,3)10-7-11-13(19)9-14(16(20)21)22-15(11)12(8-10)18(4,5)6/h7-9H,1-6H3,(H,20,21)