3-[(3-oxidanylidene-6-phenethyloxy-1,2-dihydroinden-5-yl)oxymethyl]benzoic acid

Systemtic Name: 3-[(3-oxidanylidene-6-phenethyloxy-1,2-dihydroinden-5-yl)oxymethyl]benzoic acid Openeye Name: 3-[(3-oxo-6-phenethyloxy-indan-5-yl)oxymethyl]benzoic acid CAS Name: 3-[(3-oxo-6-phenethyloxy-1,2-dihydroinden-5-yl)oxymethyl]benzoic acid IUPAC Name: 3-[(3-oxo-6-phenethyloxy-1,2-dihydroinden-5-yl)oxymethyl]benzoic acid Traditional Name: 3-[(3-keto-6-phenethyloxy-indan-5-yl)oxymethyl]benzoic acid Formula: C25H22O5 MolecularWeight: 402.43918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=CC(=C(C=C21)OCCC3=CC=CC=C3)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CC(=O)C2=CC(=C(C=C21)OCCC3=CC=CC=C3)OCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H22O5/c26-22-10-9-19-14-23(29-12-11-17-5-2-1-3-6-17)24(15-21(19)22)30-16-18-7-4-8-20(13-18)25(27)28/h1-8,13-15H,9-12,16H2,(H,27,28)