sodium 7-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylate

Systemtic Name: sodium 7-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylate Openeye Name: sodium 7-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-8-propyl-chromane-2-carboxylate CAS Name: sodium 7-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylate IUPAC Name: sodium 7-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylate Traditional Name: sodium 7-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-8-propyl-chroman-2-carboxylate Formula: C26H31NaO7 MolecularWeight: 478.50991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2)C(=O)[O-])OCCCOC3=C(C=C(C(=C3)O)C(=O)C)CC.[Na+]

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)C(=O)[O-])OCCCOC3=C(C=C(C(=C3)O)C(=O)C)CC.[Na+]

InChI

InChI=1S/C26H32O7.Na/c1-4-7-19-22(10-8-18-9-11-23(26(29)30)33-25(18)19)31-12-6-13-32-24-15-21(28)20(16(3)27)14-17(24)5-2;/h8,10,14-15,23,28H,4-7,9,11-13H2,1-3H3,(H,29,30);/q;+1/p-1