(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C17H12Br2O5S MolecularWeight: 488.14718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(S3)Br)Br)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(S3)Br)Br)O

InChI

InChI=1S/C17H12Br2O5S/c1-2-8-3-10-9(4-15(21)24-13(10)6-12(8)20)7-23-17(22)14-5-11(18)16(19)25-14/h3-6,20H,2,7H2,1H3