7-[3-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]propoxy]-8-propyl-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[3-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]propoxy]-8-propyl-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]propoxy]-8-propyl-2H-chromene-2-carboxylic acid CAS Name: 7-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-8-propyl-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-8-propyl-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]propoxy]-8-propyl-2H-chromene-2-carboxylic acid Formula: C30H31FO6 MolecularWeight: 506.561943

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(C=C2)C(=O)O)OCCCOC3=C(C=C(C(=C3)O)C4=CC=C(C=C4)F)CC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(C=C2)C(=O)O)OCCCOC3=C(C=C(C(=C3)O)C4=CC=C(C=C4)F)CC

InChI

InChI=1S/C30H31FO6/c1-3-6-23-26(13-9-21-10-14-27(30(33)34)37-29(21)23)35-15-5-16-36-28-18-25(32)24(17-19(28)4-2)20-7-11-22(31)12-8-20/h7-14,17-18,27,32H,3-6,15-16H2,1-2H3,(H,33,34)