3-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbonyloxy]benzoic acid

Systemtic Name: 3-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbonyloxy]benzoic acid Openeye Name: 3-(2,2,4,4-tetramethylthiochromane-6-carbonyl)oxybenzoic acid CAS Name: 3-[oxo-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)methoxy]benzoic acid IUPAC Name: 3-(2,2,4,4-tetramethyl-3H-thiochromene-6-carbonyl)oxybenzoic acid Traditional Name: 3-(2,2,4,4-tetramethylthiochroman-6-carbonyl)oxybenzoic acid Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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