1-tert-butyl-6-phenoxy-1H-isothiochromene-4-carboxylic acid

Systemtic Name: 1-tert-butyl-6-phenoxy-1H-isothiochromene-4-carboxylic acid Openeye Name: 1-tert-butyl-6-phenoxy-1H-isothiochromene-4-carboxylic acid CAS Name: 1-tert-butyl-6-phenoxy-1H-2-benzothiopyran-4-carboxylic acid IUPAC Name: 1-tert-butyl-6-phenoxy-1H-isothiochromene-4-carboxylic acid Traditional Name: 1-tert-butyl-6-phenoxy-1H-isothiochromene-4-carboxylic acid Formula: C20H20O3S MolecularWeight: 340.436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=C(C=C(C=C2)OC3=CC=CC=C3)C(=CS1)C(=O)O

Isomeric SMILES

CC(C)(C)C1C2=C(C=C(C=C2)OC3=CC=CC=C3)C(=CS1)C(=O)O

InChI

InChI=1S/C20H20O3S/c1-20(2,3)18-15-10-9-14(23-13-7-5-4-6-8-13)11-16(15)17(12-24-18)19(21)22/h4-12,18H,1-3H3,(H,21,22)