7-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-6-iodanyl-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-6-iodanyl-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-6-iodo-8-propyl-chromane-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-6-iodo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-6-iodo-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-6-iodo-8-propyl-chroman-2-carboxylic acid Formula: C26H31IO7 MolecularWeight: 582.42461

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1OCCCOC3=C(C=C(C(=C3)O)C(=O)C)CC)I)CCC(O2)C(=O)O

Isomeric SMILES

CCCC1=C2C(=CC(=C1OCCCOC3=C(C=C(C(=C3)O)C(=O)C)CC)I)CCC(O2)C(=O)O

InChI

InChI=1S/C26H31IO7/c1-4-7-18-24-17(8-9-22(34-24)26(30)31)13-20(27)25(18)33-11-6-10-32-23-14-21(29)19(15(3)28)12-16(23)5-2/h12-14,22,29H,4-11H2,1-3H3,(H,30,31)