3-[(4-bromanylthiophen-2-yl)-(6-ethyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-6-ethyl-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[(4-bromanylthiophen-2-yl)-(6-ethyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-6-ethyl-2-oxidanyl-chromen-4-one Openeye Name: 3-[(4-bromo-2-thienyl)-(6-ethyl-2-hydroxy-4-oxo-chromen-3-yl)methyl]-6-ethyl-2-hydroxy-chromen-4-one CAS Name: 3-[(4-bromo-2-thiophenyl)-(6-ethyl-2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-6-ethyl-2-hydroxy-1-benzopyran-4-one IUPAC Name: 3-[(4-bromothiophen-2-yl)-(6-ethyl-2-hydroxy-4-oxochromen-3-yl)methyl]-6-ethyl-2-hydroxychromen-4-one Traditional Name: 3-[(4-bromo-2-thienyl)-(6-ethyl-2-hydroxy-4-keto-chromen-3-yl)methyl]-6-ethyl-2-hydroxy-chromone Formula: C27H21BrO6S MolecularWeight: 553.42104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C(C2=O)C(C3=CC(=CS3)Br)C4=C(OC5=C(C4=O)C=C(C=C5)CC)O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C(C2=O)C(C3=CC(=CS3)Br)C4=C(OC5=C(C4=O)C=C(C=C5)CC)O)O

InChI

InChI=1S/C27H21BrO6S/c1-3-13-5-7-18-16(9-13)24(29)22(26(31)33-18)21(20-11-15(28)12-35-20)23-25(30)17-10-14(4-2)6-8-19(17)34-27(23)32/h5-12,21,31-32H,3-4H2,1-2H3