7-bromanyl-4-thiophen-3-yl-chromen-2-one; chromen-2-one

Systemtic Name: 7-bromanyl-4-thiophen-3-yl-chromen-2-one; chromen-2-one Openeye Name: 7-bromo-4-(3-thienyl)chromen-2-one; chromen-2-one CAS Name: 1-benzopyran-2-one; 7-bromo-4-(3-thiophenyl)-1-benzopyran-2-one IUPAC Name: 7-bromo-4-thiophen-3-ylchromen-2-one; chromen-2-one Traditional Name: 7-bromo-4-(3-thienyl)coumarin; coumarin Formula: C22H13BrO4S MolecularWeight: 453.30522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)O2.C1=CC2=C(C=C1Br)OC(=O)C=C2C3=CSC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=O)O2.C1=CC2=C(C=C1Br)OC(=O)C=C2C3=CSC=C3

InChI

InChI=1S/C13H7BrO2S.C9H6O2/c14-9-1-2-10-11(8-3-4-17-7-8)6-13(15)16-12(10)5-9;10-9-6-5-7-3-1-2-4-8(7)11-9/h1-7H;1-6H