4-[(2,2,4,4-tetramethyl-3H-thiochromen-7-yl)carbonyloxy]benzoate

Systemtic Name: 4-[(2,2,4,4-tetramethyl-3H-thiochromen-7-yl)carbonyloxy]benzoate Openeye Name: 4-(2,2,4,4-tetramethylthiochromane-7-carbonyl)oxybenzoate CAS Name: 4-[oxo-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-7-yl)methoxy]benzoate IUPAC Name: 4-(2,2,4,4-tetramethyl-3H-thiochromene-7-carbonyl)oxybenzoate Traditional Name: 4-(2,2,4,4-tetramethylthiochroman-7-carbonyl)oxybenzoate Formula: C21H21O4S- MolecularWeight: 369.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)[O-])(C)C)C

InChI

InChI=1S/C21H22O4S/c1-20(2)12-21(3,4)26-17-11-14(7-10-16(17)20)19(24)25-15-8-5-13(6-9-15)18(22)23/h5-11H,12H2,1-4H3,(H,22,23)/p-1