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

Systemtic Name: 6-[3-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]propoxy]-8-propyl-chromane-2-carboxylic acid CAS Name: 6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 6-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]propoxy]-8-propyl-chroman-2-carboxylic acid Formula: C30H33FO6 MolecularWeight: 508.577823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)OCCCOC3=C(C=C(C(=C3)O)C4=CC=C(C=C4)F)CC)CCC(O2)C(=O)O

Isomeric SMILES

CCCC1=C2C(=CC(=C1)OCCCOC3=C(C=C(C(=C3)O)C4=CC=C(C=C4)F)CC)CCC(O2)C(=O)O

InChI

InChI=1S/C30H33FO6/c1-3-6-21-15-24(16-22-9-12-27(30(33)34)37-29(21)22)35-13-5-14-36-28-18-26(32)25(17-19(28)4-2)20-7-10-23(31)11-8-20/h7-8,10-11,15-18,27,32H,3-6,9,12-14H2,1-2H3,(H,33,34)