5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-1,3-bis(oxidanylidene)indene-2-carbonitrile

Systemtic Name: 5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-1,3-bis(oxidanylidene)indene-2-carbonitrile Openeye Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-1,3-dioxo-indane-2-carbonitrile CAS Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-1,3-dioxo-2-indenecarbonitrile IUPAC Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-1,3-dioxoindene-2-carbonitrile Traditional Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-1,3-diketo-indane-2-carbonitrile Formula: C24H23NO7 MolecularWeight: 437.44192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC3=C(C=C2)C(=O)C(C3=O)C#N)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC3=C(C=C2)C(=O)C(C3=O)C#N)O

InChI

InChI=1S/C24H23NO7/c1-3-4-18-21(8-7-16(13(2)26)22(18)28)32-12-14(27)11-31-15-5-6-17-19(9-15)24(30)20(10-25)23(17)29/h5-9,14,20,27-28H,3-4,11-12H2,1-2H3