1-oxidanylidene-3-phenyl-4-phenylselanyl-3,4-dihydroisochromene-7-carboxylic acid

Systemtic Name: 1-oxidanylidene-3-phenyl-4-phenylselanyl-3,4-dihydroisochromene-7-carboxylic acid Openeye Name: 1-oxo-3-phenyl-4-phenylselanyl-isochromane-7-carboxylic acid CAS Name: 1-oxo-3-phenyl-4-(phenylseleno)-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid IUPAC Name: 1-oxo-3-phenyl-4-phenylselanyl-3,4-dihydroisochromene-7-carboxylic acid Traditional Name: 1-keto-3-phenyl-4-(phenylseleno)isochroman-7-carboxylic acid Formula: C22H16O4Se MolecularWeight: 423.32004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=C(C=C(C=C3)C(=O)O)C(=O)O2)[Se]C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2C(C3=C(C=C(C=C3)C(=O)O)C(=O)O2)[Se]C4=CC=CC=C4

InChI

InChI=1S/C22H16O4Se/c23-21(24)15-11-12-17-18(13-15)22(25)26-19(14-7-3-1-4-8-14)20(17)27-16-9-5-2-6-10-16/h1-13,19-20H,(H,23,24)