4-[[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxymethyl]benzoic acid Openeye Name: 4-[(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxymethyl]benzoic acid CAS Name: 4-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxymethyl]benzoic acid IUPAC Name: 4-[(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxymethyl]benzoic acid Traditional Name: 4-[(3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl)oxymethyl]benzoic acid Formula: C26H22O5 MolecularWeight: 414.44988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C26H22O5/c1-16-21-12-13-23(30-15-19-8-10-20(11-9-19)25(27)28)17(2)24(21)31-26(29)22(16)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,27,28)