2-[(2S,3R)-3-bromanyl-4-oxidanylidene-2,3-dihydrochromen-2-yl]benzoic acid

Systemtic Name: 2-[(2S,3R)-3-bromanyl-4-oxidanylidene-2,3-dihydrochromen-2-yl]benzoic acid Openeye Name: 2-[(2S,3R)-3-bromo-4-oxo-chroman-2-yl]benzoic acid CAS Name: 2-[(2S,3R)-3-bromo-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]benzoic acid IUPAC Name: 2-[(2S,3R)-3-bromo-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid Traditional Name: 2-[(2S,3R)-3-bromo-4-keto-chroman-2-yl]benzoic acid Formula: C16H11BrO4 MolecularWeight: 347.16014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C(C(=O)C3=CC=CC=C3O2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)[C@H]2[C@H](C(=O)C3=CC=CC=C3O2)Br)C(=O)O

InChI

InChI=1S/C16H11BrO4/c17-13-14(18)11-7-3-4-8-12(11)21-15(13)9-5-1-2-6-10(9)16(19)20/h1-8,13,15H,(H,19,20)/t13-,15-/m0/s1