4-chloranyl-2-[4-oxidanyl-3-(phenylmethyl)-2H-chromen-7-yl]benzoic acid

Systemtic Name: 4-chloranyl-2-[4-oxidanyl-3-(phenylmethyl)-2H-chromen-7-yl]benzoic acid Openeye Name: 2-(3-benzyl-4-hydroxy-2H-chromen-7-yl)-4-chloro-benzoic acid CAS Name: 4-chloro-2-[4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl]benzoic acid IUPAC Name: 2-(3-benzyl-4-hydroxy-2H-chromen-7-yl)-4-chlorobenzoic acid Traditional Name: 2-(3-benzyl-4-hydroxy-2H-chromen-7-yl)-4-chloro-benzoic acid Formula: C23H17ClO4 MolecularWeight: 392.83168

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)Cl)C(=O)O)O)CC4=CC=CC=C4

Isomeric SMILES

C1C(=C(C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)Cl)C(=O)O)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H17ClO4/c24-17-7-9-18(23(26)27)20(12-17)15-6-8-19-21(11-15)28-13-16(22(19)25)10-14-4-2-1-3-5-14/h1-9,11-12,25H,10,13H2,(H,26,27)