ethyl 4-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]benzoate

Systemtic Name: ethyl 4-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]benzoate Openeye Name: ethyl 4-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-chromen-2-yl]benzoate CAS Name: 4-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]benzoate Traditional Name: 4-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-chromen-2-yl]benzoic acid ethyl ester Formula: C35H38O9 MolecularWeight: 602.67082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)C4=CC=C(C=C4)C(=O)OCC)CCC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)C4=CC=C(C=C4)C(=O)OCC)CCC)O

InChI

InChI=1S/C35H38O9/c1-5-8-27-30(16-14-25(21(4)36)33(27)39)42-19-24(37)20-43-31-17-15-26-29(38)18-32(44-34(26)28(31)9-6-2)22-10-12-23(13-11-22)35(40)41-7-3/h10-18,24,37,39H,5-9,19-20H2,1-4H3