(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C19H15ClO5S MolecularWeight: 390.8374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=C(C=CC(=C3)SC)Cl)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=C(C=CC(=C3)SC)Cl)O

InChI

InChI=1S/C19H15ClO5S/c1-10-16(21)6-4-13-11(7-17(22)25-18(10)13)9-24-19(23)14-8-12(26-2)3-5-15(14)20/h3-8,21H,9H2,1-2H3