6-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 6-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 6-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]chromane-2-carboxylic acid CAS Name: 6-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 6-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]chroman-2-carboxylic acid Formula: C28H30O6 MolecularWeight: 462.5342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCOC3=CC4=C(C=C3)OC(CC4)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCOC3=CC4=C(C=C3)OC(CC4)C(=O)O

InChI

InChI=1S/C28H30O6/c1-2-7-20-19-24(33-22-8-4-3-5-9-22)12-14-25(20)32-17-6-16-31-23-11-15-26-21(18-23)10-13-27(34-26)28(29)30/h3-5,8-9,11-12,14-15,18-19,27H,2,6-7,10,13,16-17H2,1H3,(H,29,30)