4-[(4-oxidanylidene-6-phenylmethoxycarbonyl-chromen-3-yl)methyl]benzoic acid

Systemtic Name: 4-[(4-oxidanylidene-6-phenylmethoxycarbonyl-chromen-3-yl)methyl]benzoic acid Openeye Name: 4-[(6-benzyloxycarbonyl-4-oxo-chromen-3-yl)methyl]benzoic acid CAS Name: 4-[(4-oxo-6-phenylmethoxycarbonyl-1-benzopyran-3-yl)methyl]benzoic acid IUPAC Name: 4-[(4-oxo-6-phenylmethoxycarbonylchromen-3-yl)methyl]benzoic acid Traditional Name: 4-[(6-carbobenzoxy-4-keto-chromen-3-yl)methyl]benzoic acid Formula: C25H18O6 MolecularWeight: 414.40682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)OC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)OC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H18O6/c26-23-20(12-16-6-8-18(9-7-16)24(27)28)15-30-22-11-10-19(13-21(22)23)25(29)31-14-17-4-2-1-3-5-17/h1-11,13,15H,12,14H2,(H,27,28)