4-[(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)carbonyloxy]benzoic acid

Systemtic Name: 4-[(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)carbonyloxy]benzoic acid Openeye Name: 4-(2,2,4,4,7-pentamethylthiochromane-6-carbonyl)oxybenzoic acid CAS Name: 4-[oxo-(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-6-yl)methoxy]benzoic acid IUPAC Name: 4-(2,2,4,4,7-pentamethyl-3H-thiochromene-6-carbonyl)oxybenzoic acid Traditional Name: 4-(2,2,4,4,7-pentamethylthiochroman-6-carbonyl)oxybenzoic acid Formula: C22H24O4S MolecularWeight: 384.48856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)OC3=CC=C(C=C3)C(=O)O)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)OC3=CC=C(C=C3)C(=O)O)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C22H24O4S/c1-13-10-18-17(21(2,3)12-22(4,5)27-18)11-16(13)20(25)26-15-8-6-14(7-9-15)19(23)24/h6-11H,12H2,1-5H3,(H,23,24)