6-chloranyl-7-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-chloro-7-[(4-methoxyphenyl)thio]-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-[(4-methoxyphenyl)thio]-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C18H14ClF3O4S MolecularWeight: 418.81457

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=C3CC(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=C3CC(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C18H14ClF3O4S/c1-25-10-2-4-11(5-3-10)27-15-8-14-9(7-13(15)19)6-12(17(23)24)16(26-14)18(20,21)22/h2-5,7-8,12,16H,6H2,1H3,(H,23,24)