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

Systemtic Name: 4-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]benzoic acid Openeye Name: 4-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-oxo-8-propyl-chromen-2-yl]benzoic acid CAS Name: 4-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]benzoic acid IUPAC Name: 4-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propylchromen-2-yl]benzoic acid Traditional Name: 4-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-keto-8-propyl-chromen-2-yl]benzoic acid Formula: C33H34O8 MolecularWeight: 558.61826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)C=C(O3)C4=CC=C(C=C4)C(=O)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)C=C(O3)C4=CC=C(C=C4)C(=O)O)CCC

InChI

InChI=1S/C33H34O8/c1-4-7-25-28(15-13-23(20(3)34)31(25)36)39-17-6-18-40-29-16-14-24-27(35)19-30(41-32(24)26(29)8-5-2)21-9-11-22(12-10-21)33(37)38/h9-16,19,36H,4-8,17-18H2,1-3H3,(H,37,38)