4-[4-[4-[(3-oxidanyl-2,4-dihydro-1,5-benzodioxepin-3-yl)methylsulfanyl]phenyl]phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[4-[4-[(3-oxidanyl-2,4-dihydro-1,5-benzodioxepin-3-yl)methylsulfanyl]phenyl]phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[4-[4-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methylsulfanyl]phenyl]phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[4-[4-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methylthio]phenyl]phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[4-[4-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methylsulfanyl]phenyl]phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[4-[4-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methylthio]phenyl]phenyl]-2,4-diketo-butyric acid Formula: C26H22O7S MolecularWeight: 478.51368

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=CC=CC=C2O1)(CSC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)CC(=O)C(=O)O)O

Isomeric SMILES

C1C(COC2=CC=CC=C2O1)(CSC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)CC(=O)C(=O)O)O

InChI

InChI=1S/C26H22O7S/c27-21(13-22(28)25(29)30)19-7-5-17(6-8-19)18-9-11-20(12-10-18)34-16-26(31)14-32-23-3-1-2-4-24(23)33-15-26/h1-12,31H,13-16H2,(H,29,30)