4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl]methoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl]methoxy]-2-oxidanyl-benzoic acid Openeye Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl]methoxy]-2-hydroxy-benzoic acid CAS Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl]methoxy]-2-hydroxybenzoic acid IUPAC Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl]methoxy]-2-hydroxybenzoic acid Traditional Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzyl]oxy-2-hydroxy-benzoic acid Formula: C23H20O6 MolecularWeight: 392.4013

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CC(=CC=C3)COC4=CC(=C(C=C4)C(=O)O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CC(=CC=C3)COC4=CC(=C(C=C4)C(=O)O)O)OC1

InChI

InChI=1S/C23H20O6/c24-20-13-18(6-7-19(20)23(25)26)29-14-15-3-1-4-16(11-15)17-5-8-21-22(12-17)28-10-2-9-27-21/h1,3-8,11-13,24H,2,9-10,14H2,(H,25,26)