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

Systemtic Name: 3-[4-oxidanyl-3-(phenylmethyl)-2H-chromen-7-yl]benzoic acid Openeye Name: 3-(3-benzyl-4-hydroxy-2H-chromen-7-yl)benzoic acid CAS Name: 3-[4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl]benzoic acid IUPAC Name: 3-(3-benzyl-4-hydroxy-2H-chromen-7-yl)benzoic acid Traditional Name: 3-(3-benzyl-4-hydroxy-2H-chromen-7-yl)benzoic acid Formula: C23H18O4 MolecularWeight: 358.38662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18O4/c24-22-19(11-15-5-2-1-3-6-15)14-27-21-13-17(9-10-20(21)22)16-7-4-8-18(12-16)23(25)26/h1-10,12-13,24H,11,14H2,(H,25,26)