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

Systemtic Name: 7-[5-(4-ethyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[5-(4-ethyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-8-propyl-chromane-2-carboxylic acid CAS Name: 7-[5-(4-ethyl-3-hydroxy-2-propylphenoxy)pentoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[5-(4-ethyl-3-hydroxy-2-propylphenoxy)pentoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[5-(4-ethyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-8-propyl-chroman-2-carboxylic acid Formula: C29H40O6 MolecularWeight: 484.6243

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)CC)OCCCCCOC2=C(C3=C(CCC(O3)C(=O)O)C=C2)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)CC)OCCCCCOC2=C(C3=C(CCC(O3)C(=O)O)C=C2)CCC

InChI

InChI=1S/C29H40O6/c1-4-10-22-24(15-12-20(6-3)27(22)30)33-18-8-7-9-19-34-25-16-13-21-14-17-26(29(31)32)35-28(21)23(25)11-5-2/h12-13,15-16,26,30H,4-11,14,17-19H2,1-3H3,(H,31,32)