6,7-bis(chloranyl)-5-(1-oxidanyl-2-phenyl-ethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 6,7-bis(chloranyl)-5-(1-oxidanyl-2-phenyl-ethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 6,7-dichloro-5-(1-hydroxy-2-phenyl-ethyl)-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 6,7-dichloro-5-(1-hydroxy-2-phenylethyl)-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 6,7-dichloro-5-(1-hydroxy-2-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 6,7-dichloro-5-(1-hydroxy-2-phenyl-ethyl)coumaran-2-carboxylic acid Formula: C17H14Cl2O4 MolecularWeight: 353.19666

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C(=C(C=C21)C(CC3=CC=CC=C3)O)Cl)Cl)C(=O)O

Isomeric SMILES

C1C(OC2=C(C(=C(C=C21)C(CC3=CC=CC=C3)O)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H14Cl2O4/c18-14-11(12(20)6-9-4-2-1-3-5-9)7-10-8-13(17(21)22)23-16(10)15(14)19/h1-5,7,12-13,20H,6,8H2,(H,21,22)